Hydrochloric Acid

Hydrochloric Acid

SCHEMBL8441461

Cl.O=C(O[C@@H]1CCCC[C@H]1N1CCOCC1)C(c1ccccc1)c1ccccc1

nearest known ligand 0.51

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
▸ KCNA5 known ✓ P22460 1/20 0.42
▸ SCN5A known ✓ Q14524 1/20 0.42
▸ CHRM2 known ✓ P08172 2/20 0.42
▸ CHRM4 known ✓ P08173 2/20 0.42
▸ CHRM5 known ✓ P08912 2/20 0.42
▸ CHRM1 known ✓ P11229 2/20 0.42
▸ CHRM3 known ✓ P20309 2/20 0.42
▸ SLC6A3 known ✓ Q01959 2/20 0.40
▸ ALDH1A1 P00352 3/20 0.51
▸ PKM P14618 2/20 0.49
▸ CYP2D6 P10635 4/20 0.47
▸ SLC18A3 Q16572 3/20 0.47
▸ HTT P42858 1/20 0.47
▸ CYP3A4 P08684 4/20 0.46
▸ LMNA P02545 3/20 0.46
▸ THRB P10828 3/20 0.46
▸ BLM P54132 3/20 0.46
▸ PMP22 Q01453 3/20 0.46
▸ MEN1 O00255 2/20 0.46
▸ KMT2A Q03164 2/20 0.46

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 SCHEMBL9068002 0.78 ALDH1A1 (0.51) ALDH1A1SLC18A3MEN1KMT2AMAPT
SCHEMBL12165452 0.78 SLC18A3 (0.39) ALDH1A1SLC18A3CYP3A4MEN1KMT2A
Hydrochloric Acid SCHEMBL8989804 0.77 CYP3A4 (0.46) ALDH1A1CYP2D6SLC18A3CYP3A4BLM
Hydrochloric Acid SCHEMBL8989801 0.77 CYP3A4 (0.46) ALDH1A1CYP2D6SLC18A3CYP3A4BLM
Hydrochloric Acid SCHEMBL7803100 0.77 CYP3A4 (0.46) ALDH1A1CYP2D6SLC18A3CYP3A4BLM
Hydrochloric Acid SCHEMBL7803102 0.77 CYP3A4 (0.46) ALDH1A1CYP2D6SLC18A3CYP3A4BLM
Hydrochloric Acid SCHEMBL7799081 0.76 KCNA5 (0.51) ALDH1A1SLC18A3MEN1KMT2AKCNA5
SCHEMBL7799097 0.76 CYP3A4 (0.47) ALDH1A1CYP2D6SLC18A3CYP3A4CYP1A2
SCHEMBL7799095 0.76 CYP3A4 (0.47) ALDH1A1CYP2D6SLC18A3CYP3A4CYP1A2
SCHEMBL7802112 0.74 KCNA5 (0.52) ALDH1A1SLC18A3MEN1KMT2AMAPT

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-5885984-A BLOCKADE OF ION CHANNELS AND THE TREATMENT OF ARRHYTHMIAS. UNIVERSITY OF BRITISH COLUMBIA (CA) 1999-03-23 — — US disclosed
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