Hydrochloric Acid

Hydrochloric Acid

SCHEMBL9871592

Cl.O=C(CC1CCN(CCn2ncc3ccccc3c2=O)C1)c1ccc(F)cc1

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
▸ HTR2A known ✓ P28223 4/20 0.47
▸ DRD2 known ✓ P14416 3/20 0.47
▸ HTR2C known ✓ P28335 3/20 0.47
▸ HTR2B known ✓ P41595 3/20 0.47
▸ SIGMAR1 known ✓ Q99720 3/20 0.47
▸ HTR1A known ✓ P08908 1/20 0.39
▸ ADRA2B known ✓ P18089 1/20 0.39
▸ ADRA2C known ✓ P18825 1/20 0.39
▸ DRD1 known ✓ P21728 1/20 0.39
▸ DRD4 known ✓ P21917 1/20 0.39
▸ HTR1D known ✓ P28221 1/20 0.39
▸ HTR1B known ✓ P28222 1/20 0.39
▸ SLC6A4 known ✓ P31645 1/20 0.39
▸ HTR7 known ✓ P34969 1/20 0.39
▸ ADRA1A known ✓ P35348 1/20 0.39
▸ HRH1 known ✓ P35367 1/20 0.39
▸ DRD3 known ✓ P35462 1/20 0.39
▸ HTR5A known ✓ P47898 1/20 0.39
▸ HTR6 known ✓ P50406 1/20 0.39
▸ SLC6A3 known ✓ Q01959 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
Hydrochloric Acid SCHEMBL9874132 0.83 HTR2A (0.57) HTR2ADRD2HTR2CHTR2BSIGMAR1
Hydrochloric Acid SCHEMBL9630532 0.77 MAPT (0.55) HTR2ADRD2HTR2CHTR2BSIGMAR1
SCHEMBL9804346 0.76 MAPT (0.56) HTR2ADRD2HTR2CHTR2BSIGMAR1
Hydrochloric Acid SCHEMBL9870766 0.76 HTR2A (0.69) HTR2ADRD2HTR2CHTR2BSIGMAR1
SCHEMBL9379721 0.75 HTR2A (0.70) HTR2ADRD2HTR2CHTR2BSIGMAR1
SCHEMBL9870723 0.74 DRD2 (0.65) HTR2ADRD2HTR2CHTR2BSIGMAR1
SCHEMBL7379763 0.72 MEN1 (0.70) HTR2ADRD2HTR2CHTR2BSIGMAR1
Hydrochloric Acid SCHEMBL9871169 0.69 DRD2 (0.67) HTR2ADRD2HTR2CHTR2BSIGMAR1
Maleic Acid SCHEMBL8555257 0.69 — —
Fumaric Acid SCHEMBL8555260 0.69 — —

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-5077288-A Adrenergic, serotonin and histamine antagonist ADIR ET COMPAGNIE (FR) 1991-12-31 — — US disclosed
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