Hydrochloric Acid

Hydrochloric Acid

SCHEMBL11468675

Cc1cccc(NC2CCN3CCc4c(n(Cc5ccccc5)c5ccccc45)C3C2)c1.Cl.Cl

nearest known ligand 0.40

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
▸ HDAC2 known ✓ Q92769 2/20 0.39
▸ HDAC8 known ✓ Q9BY41 2/20 0.39
▸ HDAC6 known ✓ Q9UBN7 2/20 0.39
▸ ACHE known ✓ P22303 1/20 0.38
▸ GAA known ✓ P10253 1/20 0.38
▸ BCHE known ✓ P06276 1/20 0.37
▸ CHRM2 known ✓ P08172 1/20 0.37
▸ HTR1A known ✓ P08908 1/20 0.37
▸ ADRA2A known ✓ P08913 1/20 0.37
▸ CHRM1 known ✓ P11229 1/20 0.37
▸ DRD1 known ✓ P21728 1/20 0.37
▸ SLC6A2 known ✓ P23975 1/20 0.37
▸ SLC6A4 known ✓ P31645 1/20 0.37
▸ ADRA1A known ✓ P35348 1/20 0.37
▸ OPRM1 known ✓ P35372 1/20 0.37
▸ DRD3 known ✓ P35462 1/20 0.37
▸ SLC6A3 known ✓ Q01959 1/20 0.37
▸ KCNH2 known ✓ Q12809 1/20 0.37
▸ DCUN1D1 Q96GG9 1/20 0.40
▸ MAPT P10636 3/20 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
SCHEMBL11475559 0.99 DCUN1D1 (0.41) DCUN1D1MAPTCASP3SENP8SENP7
Hydrochloric Acid SCHEMBL11470685 0.91 HDAC6 (0.43) HDAC2HDAC8HDAC6ALDH1A1GAA
SCHEMBL11499454 0.90 HDAC6 (0.44) HDAC2HDAC8HDAC6ALDH1A1GAA
Hydrochloric Acid SCHEMBL11479030 0.90 HDAC6 (0.41) HDAC2HDAC8HDAC6ALDH1A1GAA
SCHEMBL11470640 0.86 HDAC8 (0.42) DCUN1D1MAPTHDAC2HDAC8HDAC6
Oxalic Acid SCHEMBL11470690 0.85 HDAC8 (0.41) DCUN1D1MAPTHDAC2HDAC8HDAC6
SCHEMBL11467279 0.85 SIGMAR1 (0.41) MAPTHDAC2HDAC8HDAC6ACHE
Hydrochloric Acid SCHEMBL11471583 0.85 HDAC6 (0.42) MAPTHDAC2HDAC8HDAC6ACHE
Hydrochloric Acid SCHEMBL11486433 0.84 SSTR5 (0.42) MAPTHDAC2HDAC8HDAC6ACHE
SCHEMBL11498371 0.83 SSTR5 (0.42) MAPTHDAC2HDAC8HDAC6ACHE

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-4181657-A 2-Aminooctahydroindolo[2,3-a]quinolizines useful in treating cardiovascular disorders MILES LABORATORIES, INC. (US) 1980-01-01 — — US claimed
US-4181657-A 2-Aminooctahydroindolo[2,3-a]quinolizines useful in treating cardiovascular disorders MILES LABORATORIES, INC. (US) 1980-01-01 — — US disclosed
Send feedback