Hydrochloric Acid

Hydrochloric Acid

SCHEMBL11486433

COc1ccc(NC2CCN3CCc4c(n(Cc5ccccc5)c5ccccc45)C3C2)cc1.Cl.Cl

nearest known ligand 0.42

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
▸ GAA known ✓ P10253 3/20 0.40
▸ HTR6 known ✓ P50406 2/20 0.40
▸ SIGMAR1 known ✓ Q99720 2/20 0.40
▸ CACNA1F known ✓ O60840 1/20 0.40
▸ EGFR known ✓ P00533 1/20 0.40
▸ ERBB2 known ✓ P04626 1/20 0.40
▸ LCK known ✓ P06239 1/20 0.40
▸ CHRM2 known ✓ P08172 1/20 0.40
▸ CHRM4 known ✓ P08173 1/20 0.40
▸ ADRB1 known ✓ P08588 1/20 0.40
▸ HTR1A known ✓ P08908 1/20 0.40
▸ CHRM5 known ✓ P08912 1/20 0.40
▸ ADRA2A known ✓ P08913 1/20 0.40
▸ CHRM1 known ✓ P11229 1/20 0.40
▸ ADRB3 known ✓ P13945 1/20 0.40
▸ DRD2 known ✓ P14416 1/20 0.40
▸ ADRA2B known ✓ P18089 1/20 0.40
▸ ADRA2C known ✓ P18825 1/20 0.40
▸ CHRM3 known ✓ P20309 1/20 0.40
▸ DRD1 known ✓ P21728 1/20 0.40

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
SCHEMBL11498371 0.99 SSTR5 (0.42) SSTR5ALDH1A1GFERMEN1KMT2A
Hydrochloric Acid SCHEMBL11470685 0.91 HDAC6 (0.43) SSTR5ALDH1A1MEN1KMT2AGAA
SCHEMBL11499454 0.90 HDAC6 (0.44) SSTR5ALDH1A1MEN1KMT2AGAA
Hydrochloric Acid SCHEMBL11471583 0.88 HDAC6 (0.42) SSTR5ALDH1A1MEN1KMT2AGAA
Hydrochloric Acid SCHEMBL11467252 0.86 HDAC6 (0.43) ALDH1A1MEN1KMT2AGAACYP1A2
SCHEMBL11479748 0.85 HDAC6 (0.44) MEN1KMT2ACYP1A2ABCB1MAPT
Hydrochloric Acid SCHEMBL11468675 0.84 DCUN1D1 (0.40) ALDH1A1GAATP53CHRM2HTR1A
SCHEMBL11475559 0.83 DCUN1D1 (0.41) ALDH1A1GAATP53CHRM2HTR1A
Hydrochloric Acid SCHEMBL11479030 0.82 HDAC6 (0.41) ALDH1A1KMT2AGAAHTR6SIGMAR1
Hydrochloric Acid SCHEMBL11483721 0.81 HDAC6 (0.43) ALDH1A1MEN1KMT2AGAAHTT

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
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