Hydrochloric Acid

Hydrochloric Acid

SCHEMBL11837384

CN(C)CCCn1nc(-c2ccccc2)c2cc(Cl)ccc21.Cl

nearest known ligand 0.56

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
▸ ADRA1A known ✓ P35348 4/20 0.44
▸ HRH1 known ✓ P35367 3/20 0.44
▸ HRH3 known ✓ Q9Y5N1 3/20 0.44
▸ ADRA1B known ✓ P35368 1/20 0.44
▸ HTR1A known ✓ P08908 4/20 0.42
▸ DRD2 known ✓ P14416 3/20 0.42
▸ GAA known ✓ P10253 1/20 0.42
▸ PRKCG known ✓ P05129 1/20 0.42
▸ PRKCB known ✓ P05771 1/20 0.42
▸ PRKCA known ✓ P17252 1/20 0.42
▸ CHRM2 known ✓ P08172 3/20 0.40
▸ ADRA2A known ✓ P08913 3/20 0.40
▸ CHRM1 known ✓ P11229 3/20 0.40
▸ DRD1 known ✓ P21728 3/20 0.40
▸ SLC6A2 known ✓ P23975 3/20 0.40
▸ SLC6A4 known ✓ P31645 3/20 0.40
▸ OPRM1 known ✓ P35372 3/20 0.40
▸ DRD3 known ✓ P35462 3/20 0.40
▸ SLC6A3 known ✓ Q01959 3/20 0.40
▸ KCNH2 known ✓ Q12809 3/20 0.40

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
SCHEMBL11842021 0.99 MAPT (0.57) MAPTKDM4ETSHRHSD17B10MAT2A
Hydrochloric Acid SCHEMBL11846094 0.93 MAPT (0.58) MAPTKDM4ETSHRHSD17B10MAT2A
SCHEMBL11835478 0.91 MAPT (0.59) MAPTKDM4ETSHRHSD17B10MAT2A
SCHEMBL11838059 0.85 KDM4E (0.47) MAPTKDM4ETSHRHSD17B10ADRA1A
Hydrochloric Acid SCHEMBL11833093 0.85 KDM4E (0.61) KDM4ETSHRHSD17B10ADRA1AHRH3
SCHEMBL11834719 0.84 KDM4E (0.46) MAPTKDM4ETSHRHSD17B10ADRA1A
Hydrochloric Acid SCHEMBL11837552 0.84 MAPT (0.56) MAPTKDM4ETSHRHSD17B10CYP1A2
SCHEMBL11834589 0.83 KDM4E (0.63) KDM4ETSHRHSD17B10ADRA1AHRH3
Hydrochloric Acid SCHEMBL11828812 0.83 MAPT (0.56) MAPTKDM4ETSHRHSD17B10MAT2A
SCHEMBL11832928 0.83 MAPT (0.57) MAPTKDM4ETSHRHSD17B10CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-3994890-A TRANQUILIZERS, ANTIDEPRESSANTS, ANTIINFLAMMATORY CHUGAI SEIYAKU KABUSHIKI KAISHA (JA) 1976-11-30 — — US disclosed
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