Hydrochloric Acid

Hydrochloric Acid

SCHEMBL9470904

CCC(=O)N(C)C1CCN(CCC2=Cc3ccccc32)CC1.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
▸ OPRM1 known ✓ P35372 8/20 0.50
▸ CHRM1 known ✓ P11229 1/20 0.50
▸ DRD2 known ✓ P14416 1/20 0.50
▸ ADRA2B known ✓ P18089 1/20 0.50
▸ ADRA2C known ✓ P18825 1/20 0.50
▸ CHRM3 known ✓ P20309 1/20 0.50
▸ MAOA known ✓ P21397 1/20 0.50
▸ DRD4 known ✓ P21917 1/20 0.50
▸ MAOB known ✓ P27338 1/20 0.50
▸ ADRA1A known ✓ P35348 1/20 0.50
▸ HRH1 known ✓ P35367 1/20 0.50
▸ ADRA1B known ✓ P35368 1/20 0.50
▸ DRD3 known ✓ P35462 1/20 0.50
▸ OPRD1 known ✓ P41143 1/20 0.50
▸ OPRK1 known ✓ P41145 1/20 0.50
▸ SLC6A3 known ✓ Q01959 1/20 0.50
▸ KCNH2 known ✓ Q12809 1/20 0.50
▸ GHSR known ✓ Q92847 1/20 0.50
▸ SIGMAR1 known ✓ Q99720 1/20 0.50
▸ CCR5 known ✓ P51681 3/20 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 SCHEMBL9471472 0.90 OPRM1 (0.47) OPRM1SLC22A1NR1I2ABCB1CHRM1
SCHEMBL7337299 0.88 OPRM1 (0.48) OPRM1SLC22A1NR1I2ABCB1CHRM1
Hydrochloric Acid SCHEMBL9471544 0.81 KCNH2 (0.43) OPRM1DRD2KCNH2SIGMAR1CCR5
SCHEMBL7270798 0.80 KCNH2 (0.44) OPRM1DRD2KCNH2SIGMAR1CCR5
Hydrochloric Acid SCHEMBL9470905 0.78 ALDH1A1 (0.43) OPRM1DRD2KCNH2SIGMAR1POLB
Hydrochloric Acid SCHEMBL9470820 0.78 SIGMAR1 (0.46) OPRM1DRD2CHRM3KCNH2SIGMAR1
SCHEMBL7270725 0.76 SIGMAR1 (0.47) OPRM1DRD2CHRM3KCNH2SIGMAR1
Hydrochloric Acid SCHEMBL9470920 0.76 CCR5 (0.44) OPRM1DRD2KCNH2SIGMAR1CCR5
Hydrochloric Acid SCHEMBL9477034 0.74 SIGMAR1 (0.48) OPRM1DRD2KCNH2SIGMAR1CCR5
Hydrochloric Acid SCHEMBL9471460 0.74 SIGMAR1 (0.41) OPRM1DRD2CHRM3KCNH2SIGMAR1

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-5214055-A Analgesics, psychological disorders, anxiolytic agents ADIR ET COMPAGNIE (FR) 1993-05-25 — — US disclosed
US-5189045-A Antiserotonine agent ADIR ET COMPAGNIE (FR) 1993-02-23 — — US disclosed
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