Hydrochloric Acid

Hydrochloric Acid

SCHEMBL10440744

COc1ccc(C2=CC(=O)N(CCN(C)C)c3ccc4ccccc4c3S2)cc1.Cl

nearest known ligand 0.44

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
▸ DRD3 known ✓ P35462 2/20 0.44
▸ CACNA1S known ✓ Q13698 8/20 0.39
▸ KCNH2 known ✓ Q12809 2/20 0.38
▸ CACNA1F known ✓ O60840 1/20 0.36
▸ HRH2 known ✓ P25021 1/20 0.36
▸ ADRA1A known ✓ P35348 1/20 0.36
▸ SCN1A known ✓ P35498 1/20 0.36
▸ SCN4A known ✓ P35499 1/20 0.36
▸ SCN7A known ✓ Q01118 1/20 0.36
▸ CACNA1D known ✓ Q01668 1/20 0.36
▸ CACNA1C known ✓ Q13936 1/20 0.36
▸ SCN5A known ✓ Q14524 1/20 0.36
▸ SCN9A known ✓ Q15858 1/20 0.36
▸ GHSR known ✓ Q92847 1/20 0.36
▸ SCN2A known ✓ Q99250 1/20 0.36
▸ SCN3A known ✓ Q9NY46 1/20 0.36
▸ SCN11A known ✓ Q9UI33 1/20 0.36
▸ SCN8A known ✓ Q9UQD0 1/20 0.36
▸ SCN10A known ✓ Q9Y5Y9 1/20 0.36
▸ HTR2A known ✓ P28223 2/20 0.35

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 SCHEMBL7407218 0.73 CACNA1S (0.55) CACNA1SCYP3A4ABCB11LMNAKCNH2
Hydrochloric Acid SCHEMBL7410583 0.73 CACNA1S (0.55) CACNA1SCYP3A4ABCB11LMNAKCNH2
Hydrochloric Acid SCHEMBL7409339 0.73 CYP3A4 (0.58) CACNA1SCYP3A4ABCB11LMNAKCNH2
SCHEMBL7341332 0.72 CACNA1S (0.55) CACNA1SCYP3A4ABCB11LMNAKCNH2
SCHEMBL7408217 0.72 CACNA1S (0.55) CACNA1SCYP3A4ABCB11LMNAKCNH2
SCHEMBL7341326 0.72 CACNA1S (0.55) CACNA1SCYP3A4ABCB11LMNAKCNH2
SCHEMBL7410904 0.72 CACNA1S (0.57) CACNA1SCYP3A4ABCB11LMNAKCNH2
SCHEMBL10394126 0.72 CACNA1S (0.40) DRD3CYP2D6CYP2C19CYP1A2CYP2C9
Hydrochloric Acid SCHEMBL11368787 0.71 KDM1A (0.61) DRD3CYP2D6CYP2C19CYP1A2HIF1A
Hydrochloric Acid SCHEMBL30357977 0.70 CYP3A4 (0.73) CACNA1SCYP3A4ABCB11LMNAKCNH2

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
EP-0394026-A1 Formulation containing an imidazo[4,5-c]quinolin derivative RIKER LABORATORIES, INC. (US) 1990-10-24 — — EP disclosed
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