Hydrochloric Acid

Hydrochloric Acid

SCHEMBL8976106

C#CCNC(Cc1ccc(Cl)cc1)c1ccccc1.Cl

nearest known ligand 0.50

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
SLC6A4 known ✓ P31645 2/20 0.39
GAA known ✓ P10253 1/20 0.38
SLC6A2 known ✓ P23975 1/20 0.38
SLC6A3 known ✓ Q01959 1/20 0.38
MAOA known ✓ P21397 1/20 0.37
MAOB known ✓ P27338 1/20 0.37
CYP1A2 P05177 2/20 0.50
CYP2D6 P10635 2/20 0.50
CYP3A4 P08684 1/20 0.50
TSHR P16473 1/20 0.50
CYP2C19 P33261 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.43
ATM Q13315 1/20 0.43
TDP1 Q9NUW8 1/20 0.41
MAPT P10636 1/20 0.40
ALDH1A1 P00352 2/20 0.39
HTT P42858 1/20 0.39
NCOA1 Q15788 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NCOA3 Q9Y6Q9 1/20 0.39

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
SCHEMBL7031931 0.88 CYP1A2 (0.64) CYP1A2CYP2D6CYP3A4TSHRCYP2C19
Hydrochloric Acid SCHEMBL9195452 0.85 CYP1A2 (0.50) CYP1A2CYP2D6CYP3A4TSHRL3MBTL1
Hydrochloric Acid SCHEMBL8976351 0.85 CYP3A4 (0.50) CYP1A2CYP2D6CYP3A4TSHRCYP2C19
Hydrochloric Acid SCHEMBL8976093 0.85 CYP1A2 (0.50) CYP1A2CYP2D6CYP3A4TSHRL3MBTL1
Hydrochloric Acid SCHEMBL9195769 0.85 CYP1A2 (0.50) CYP1A2CYP2D6CYP3A4TSHRL3MBTL1
Hydrochloric Acid SCHEMBL8976176 0.79 CYP1A2 (0.54) CYP1A2CYP2D6CYP3A4TSHRL3MBTL1
SCHEMBL25207759 0.73 MEN1 (0.55) CYP2D6CYP3A4TSHRSLC6A4ALDH1A1
SCHEMBL7781268 0.71 L3MBTL1 (0.50) CYP1A2CYP2D6CYP3A4TSHRCYP2C19
Hydrochloric Acid SCHEMBL9529379 0.71 P2RX7 (0.45) CYP1A2CYP2D6TSHRCYP2C19TDP1
Hydrochloric Acid SCHEMBL31086290 0.71 SIGMAR1 (0.58) CYP1A2CYP2D6CYP3A4CYP2C19L3MBTL1

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
US-5508401-A N-METHYL-D-ASPARTATE ANTAGONISTS AMERICAN HOME PRODUCTS CORPORATION (US) 1996-04-16 US disclosed
EP-0573548-B1 NEUROPROTECTANT AGENTS AMERICAN HOME PROD (US) 1995-07-12 EP disclosed