Hydrochloric Acid

Hydrochloric Acid

SCHEMBL10910288

Cl.NC1CN(c2nc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)CC1F

nearest known ligand 0.74

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 Hydrochloric Acid. 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
▸ DPP4 known ✓ P27487 6/20 0.74
▸ CHRM2 known ✓ P08172 2/20 0.61
▸ DRD1 known ✓ P21728 1/20 0.61
▸ FLT4 known ✓ P35916 1/20 0.52
▸ SLC6A3 known ✓ Q01959 1/20 0.52
▸ CHRM1 known ✓ P11229 1/20 0.49
▸ OPRM1 known ✓ P35372 1/20 0.49
▸ OPRD1 known ✓ P41143 1/20 0.49
▸ EDNRA known ✓ P25101 1/20 0.45
▸ TOP2A known ✓ P11388 1/20 0.45
▸ TOP2B known ✓ Q02880 1/20 0.45
▸ LMNA P02545 3/20 0.57
▸ KDM4E B2RXH2 2/20 0.57
▸ HSD17B10 Q99714 2/20 0.57
▸ ABCC4 O15439 1/20 0.57
▸ KMT2A Q03164 1/20 0.53
▸ EPHA2 P29317 1/20 0.52
▸ GSK3B P49841 1/20 0.52
▸ RARB P10826 1/20 0.52
▸ TBXAS1 P24557 1/20 0.52

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
Hydrochloric Acid SCHEMBL10654302 0.90 DPP4 (0.73) DPP4CHRM2DRD1LMNAKDM4E
SCHEMBL8385866 0.89 DPP4 (0.74) DPP4CHRM2DRD1LMNAKDM4E
Hydrochloric Acid SCHEMBL10511612 0.88 DPP4 (0.63) DPP4CHRM2DRD1LMNAKDM4E
Hydrochloric Acid SCHEMBL10512355 0.88 DPP4 (0.63) DPP4CHRM2DRD1LMNAKDM4E
Hydrochloric Acid SCHEMBL10512342 0.88 DPP4 (0.63) DPP4CHRM2DRD1LMNAKDM4E
Hydrochloric Acid SCHEMBL10511619 0.88 DPP4 (0.63) DPP4CHRM2DRD1LMNAKDM4E
Hydrochloric Acid SCHEMBL10511628 0.88 DPP4 (0.63) DPP4CHRM2DRD1LMNAKDM4E
Hydrochloric Acid SCHEMBL10652931 0.87 KMT2A (0.68) DPP4CHRM2DRD1LMNAKDM4E
Trovafloxacin4 SCHEMBL9178854 0.87 DPP4 (0.72) DPP4CHRM2DRD1LMNAKDM4E
Hydrochloric Acid SCHEMBL20394712 0.87 DPP4 (0.67) DPP4CHRM2DRD1LMNAKDM4E

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-61189281-A — — None — — JP disclosed
JP-S61189281-A PYRIDONECARBOXYLIC ACID DERIVATIVE, AND ESTER AND SALT THEREOF DAINIPPON PHARMACEUT CO LTD 1986-08-22 — — JP disclosed
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