Hydrochloric Acid

Hydrochloric Acid

SCHEMBL11545694

Cl.O=C(NC(=O)c1ccccc1)NC1CCN(CCc2c[nH]c3ccccc23)CC1

nearest known ligand 0.83

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
ADRA2A known ✓ P08913 1/20 0.83
ADRA2B known ✓ P18089 1/20 0.83
ADRA2C known ✓ P18825 1/20 0.83
ADRA1D known ✓ P25100 1/20 0.83
ADRA1A known ✓ P35348 1/20 0.83
ADRA1B known ✓ P35368 1/20 0.83
BCHE known ✓ P06276 2/20 0.57
ACHE known ✓ P22303 2/20 0.57
HDAC8 known ✓ Q9BY41 1/20 0.57
HDAC6 known ✓ Q9UBN7 1/20 0.57
DRD4 known ✓ P21917 1/20 0.56
SIGMAR1 known ✓ Q99720 1/20 0.55
HTR2A known ✓ P28223 2/20 0.52
HTR1A known ✓ P08908 1/20 0.50
HTR1B known ✓ P28222 1/20 0.50
HTR2C known ✓ P28335 1/20 0.50
HTR2B known ✓ P41595 1/20 0.50
OPRM1 known ✓ P35372 1/20 0.49
OPRD1 known ✓ P41143 1/20 0.49
HPGD P15428 1/20 0.52

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
SCHEMBL11303310 0.99 ADRA2A (0.85) ADRA2AADRA2BADRA2CADRA1DADRA1A
Indoramin SCHEMBL29801648 0.92 ADRA1D (0.98) ADRA2AADRA2BADRA2CADRA1DADRA1A
Indoramin SCHEMBL123678 0.92 ADRA1D (0.98) ADRA2AADRA2BADRA2CADRA1DADRA1A
Indoramin SCHEMBL49517 0.91 ADRA1D (1.00) ADRA2AADRA2BADRA2CADRA1DADRA1A
Indoramin SCHEMBL29370437 0.91 ADRA1D (1.00) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL11545710 0.90 ADRA2A (0.83) ADRA2AADRA2BADRA2CADRA1DADRA1A
Indoramin SCHEMBL1651262 0.89 ADRA1D (0.96) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL7325154 0.89 ADRA2A (0.68) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL11070428 0.85 ADRA2A (0.81) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL11545481 0.85 ADRA2A (0.66) ADRA2AADRA2BADRA2CADRA1DADRA1A

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-4177279-A 1-[(3-Indolyl)-alkyl]-piperidyl ureas and hypotensive compositions JOHN WYETH & BROTHER LTD. (GB) 1979-12-04 US disclosed