Hydroquinine

Hydroquinine

SCHEMBL7208271

CC[C@H]1C[N@]2CC[C@H]1C[C@H]2[C@H](O)c1ccnc2ccc(OC)cc12.Cl

nearest known ligand 0.98

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ABL1ACEACHEACVR1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3AGTR1ALKAVPR1AAVPR2BCHEBCRCA2CACNA1ACACNA1BCACNA1CCACNA1DCACNA1ECACNA1FCACNA1GCACNA1HCACNA1ICACNA1SCACNA2D1CACNA2D2CACNA2D3CACNA2D4CACNB1CACNB2CACNB3CACNB4CACNG1CACNG2CACNG3CACNG4CACNG5CACNG6CACNG7CACNG8CALCRLCASRCCR5CDK4CDK6CFBCHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNA3CHRNA7CHRNB1CHRNB4CHRNDCHRNECHRNGCOXFA4COXFA4L2CRBNCSF1RCUL4ACYP19A1DDB1DPP4DRD1DRD2DRD3DRD4EDNRAEGFREML4ERBB2ERBB4ESR1ESR2FGFR1FGFR3FLT1FLT3FLT4GAAGABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGHSRGLAGNRHRGPD2GRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BGSTP1HCN4HCRTR1HCRTR2HDAC1HDAC10HDAC11HDAC2HDAC3HDAC4HDAC5HDAC6HDAC7HDAC8HDAC9HRH1HRH2HRH3HSD11B1HSP90AA1HSP90AB1HTR1AHTR1BHTR1DHTR1EHTR1FHTR2AHTR2BHTR2CHTR3AHTR3BHTR3CHTR3DHTR3EHTR4HTR5AHTR6HTR7IMPDH1IMPDH2ITGA2BITGB3ITKJAK1JAK2KCNA1KCNA10KCNA2KCNA3KCNA4KCNA5KCNA6KCNA7KCNB1KCNB2KCNC1KCNC2KCNC3KCNC4KCND1KCND2KCND3KCNF1KCNG1KCNG2KCNG3KCNG4KCNH1KCNH2KCNH3KCNH4KCNH5KCNH6KCNH7KCNH8KCNJ2KCNJ3KCNJ5KCNK3KCNK9KCNQ1KCNQ2KCNQ3KCNQ4KCNQ5KCNS1KCNS2KCNS3KCNV1KCNV2KDRKITKLKB1LCKMMAOAMAOBMAPK14METMMP1MMP13MMP7MMP8MT-ND1MT-ND2MT-ND3MT-ND4MT-ND4LMT-ND5MT-ND6NDUFA1NDUFA10NDUFA11NDUFA12NDUFA13NDUFA2NDUFA3NDUFA5NDUFA6NDUFA7NDUFA8NDUFA9NDUFAB1NDUFAF1NDUFAF2NDUFAF3NDUFAF4NDUFB1NDUFB10NDUFB11NDUFB2NDUFB3NDUFB4NDUFB5NDUFB6NDUFB7NDUFB8NDUFB9NDUFC1NDUFC2NDUFS1NDUFS2NDUFS3NDUFS4NDUFS5NDUFS6NDUFS7NDUFS8NDUFV1NDUFV2NDUFV3NR3C1NS5ANTRK1NTRK2NTRK3ODC1OPRD1OPRK1OPRM1P2RY12PAHPARP1PDE3APDE3BPDE4APDE4BPDE4CPDE4DPDE5APDE7APDE7BPDE8APDE8BPDGFRAPDGFRBPIK3CAPIK3CDPNPPOLA1POLA2POLD1POLD2POLD3POLD4POLEPOLE2POLE3PPARGPRIM1PRIM2PRKCAPRKCBPRKCDPRKCEPRKCGPRKCHPRKCIPRKCQPRKCZPRKD1PRKD3PTGS1PTGS2RBX1RENRETROCK1ROCK2RPE65RRM1RRM2RRM2BS1PR1S1PR2S1PR3S1PR4S1PR5SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASCNN1ASCNN1BSCNN1GSIGMAR1SLC18A2SLC6A1SLC6A2SLC6A3SLC6A4SLC9A3SRCTACR1TOP1TOP2ATOP2BTTRTYMPdacAdacBdacCembAfolAftsIgyrAgyrBmrcAmrcBmrdAparCparEpolrplArplBrplCrplDrplErplFrplIrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmE2rpmFrpmGrpmG1rpmG2rpmG3rpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of Hydroquinine. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A known ✓ P08913 4/20 0.98
SLC6A4 known ✓ P31645 4/20 0.98
OPRM1 known ✓ P35372 4/20 0.98
KCNH2 known ✓ Q12809 4/20 0.98
SLC6A3 known ✓ Q01959 2/20 0.98
CHRM2 known ✓ P08172 1/20 0.98
SCN1A known ✓ P35498 4/20 0.79
SCN2A known ✓ Q99250 4/20 0.79
SCN3A known ✓ Q9NY46 4/20 0.79
CACNA1F known ✓ O60840 1/20 0.73
BCHE known ✓ P06276 1/20 0.73
DRD2 known ✓ P14416 1/20 0.73
ADRA2B known ✓ P18089 1/20 0.73
ADRA2C known ✓ P18825 1/20 0.73
KCNA5 known ✓ P22460 1/20 0.73
HTR2A known ✓ P28223 1/20 0.73
ADRA1A known ✓ P35348 1/20 0.73
DRD3 known ✓ P35462 1/20 0.73
OPRK1 known ✓ P41145 1/20 0.73
HTR2B known ✓ P41595 1/20 0.73

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Hydroquinidine SCHEMBL6082662 1.00 CYP2D6 (0.98) CYP2D6KDM4EALDH1A1HSD17B10ADRA2A
Hydroquinidine SCHEMBL25399108 1.00 CYP2D6 (0.98) CYP2D6KDM4EALDH1A1HSD17B10ADRA2A
Hydroquinidine SCHEMBL6082658 1.00 CYP2D6 (0.98) CYP2D6KDM4EALDH1A1HSD17B10ADRA2A
Hydroquinidine SCHEMBL6082651 1.00 CYP2D6 (0.98) CYP2D6KDM4EALDH1A1HSD17B10ADRA2A
Hydroquinine SCHEMBL7208273 1.00 CYP2D6 (0.98) CYP2D6KDM4EALDH1A1HSD17B10ADRA2A
Hydroquinine SCHEMBL1004251 0.99 CYP2D6 (0.96) CYP2D6KDM4EALDH1A1HSD17B10ADRA2A
Hydroquinidine SCHEMBL1004252 0.99 CYP2D6 (0.96) CYP2D6KDM4EALDH1A1HSD17B10ADRA2A
Hydroquinidine SCHEMBL25429352 0.99 CYP2D6 (1.00) CYP2D6KDM4EALDH1A1HSD17B10ADRA2A
Hydroquinidine SCHEMBL109603 0.99 CYP2D6 (1.00) CYP2D6KDM4EALDH1A1HSD17B10ADRA2A
Hydroquinidine SCHEMBL23509584 0.99 CYP2D6 (1.00) CYP2D6KDM4EALDH1A1HSD17B10ADRA2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230331751-A1 STEREOSELECTIVE MANUFACTURE OF SELECTED PURINE PHOSPHORAMIDATES Atea Pharmaceuticals, Inc. (US) 2023-10-19 US disclosed
EP-4200309-A1 STEREOSELECTIVE MANUFACTURE OF SELECTED PURINE PHOSPHORAMIDATES ATEA Pharmaceuticals, Inc. (US) 2023-06-28 EP disclosed
CN-115884977-A Stereoselective preparation of selected purine phosphoramidates 阿堤亚制药公司 2023-03-31 CN disclosed
WO-2022040473-A1 STEREOSELECTIVE MANUFACTURE OF SELECTED PURINE PHOSPHORAMIDATES Atea Pharmaceuticals, Inc. (US) 2022-02-24 WO disclosed
EP-0894010-B1 DENATURANTS FOR SYMPATHOMIMETIC AMINE SALTS WARNER LAMBERT CO (US) 2003-07-02 EP disclosed
US-6136864-A MIXTURE OF GUM AND SURFACTANT; SUSTAINED RELEASE WARNER-LAMBERT COMPANY (US) 2000-10-24 US disclosed
EP-0894010-A2 DENATURANTS FOR SYMPATHOMIMETIC AMINE SALTS Warner-Lambert Company LLC (US) 1999-02-03 EP disclosed
WO-1997037689-A2 DENATURANTS FOR SYMPATHOMIMETIC AMINE SALTS WARNER-LAMBERT COMPANY (US) 1997-10-16 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20230331751-A1 STEREOSELECTIVE MANUFACTURE OF SELECTED PURINE PHOSPHORAMIDATES NUDT1, PNP, ATIC ADRA2A 3088/4885SLC6A4 250/4885OPRM1 2637/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.