Hydrochloric Acid

Hydrochloric Acid

SCHEMBL7766264

Cc1cccc(N2CCN(CCCCNC(=O)c3ccc4c(c3)C(=O)c3ccccc3-4)CC2)c1C.Cl

nearest known ligand 0.73

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
DRD2 known ✓ P14416 12/20 0.73
DRD3 known ✓ P35462 11/20 0.73
ADRA1A known ✓ P35348 3/20 0.73
DRD4 known ✓ P21917 5/20 0.66
HTR2A known ✓ P28223 9/20 0.59
HTR2C known ✓ P28335 9/20 0.59
HTR1A known ✓ P08908 4/20 0.59
SLC6A4 known ✓ P31645 6/20 0.59
ADRA2A known ✓ P08913 1/20 0.54
ADRA2B known ✓ P18089 1/20 0.54
ADRA2C known ✓ P18825 1/20 0.54
DRD1 known ✓ P21728 1/20 0.54
SLC6A2 known ✓ P23975 1/20 0.54
ADRA1D known ✓ P25100 1/20 0.54
HTR1B known ✓ P28222 1/20 0.54
HTR7 known ✓ P34969 1/20 0.54
HRH1 known ✓ P35367 1/20 0.54
ADRA1B known ✓ P35368 1/20 0.54
OPRM1 known ✓ P35372 1/20 0.54
HTR2B known ✓ P41595 1/20 0.54

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
SCHEMBL7769953 0.99 DRD2 (0.75) DRD2DRD3ADRA1ADRD4HTR2A
Hydrochloric Acid SCHEMBL7535217 0.93 DRD2 (0.73) DRD2DRD3ADRA1ADRD4HTR2A
Hydrochloric Acid SCHEMBL7421290 0.90 DRD3 (0.81) DRD2DRD3ADRA1ADRD4HTR2A
Hydrochloric Acid SCHEMBL7421291 0.90 DRD3 (0.81) DRD2DRD3ADRA1ADRD4HTR2A
Hydrochloric Acid SCHEMBL7766165 0.88 DRD2 (0.75) DRD2DRD3ADRA1ADRD4HTR2A
Hydrochloric Acid SCHEMBL7762622 0.87 DRD3 (0.88) DRD2DRD3ADRA1ADRD4HTR2A
Hydrochloric Acid SCHEMBL7765433 0.86 DRD2 (0.75) DRD2DRD3ADRA1ADRD4HTR2A
SCHEMBL7769974 0.86 DRD2 (0.76) DRD2DRD3ADRA1ADRD4HTR2A
SCHEMBL7766329 0.86 DRD3 (0.89) DRD2DRD3ADRA1ADRD4HTR2A
Hydrochloric Acid SCHEMBL7762657 0.86 DRD2 (0.75) DRD2DRD3ADRA1ADRD4HTR2A

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0873329-B1 NOVEL N-AMINOALKYLFLUORENECARBOXAMIDES; A NEW CLASS OF DOPAMINE RECEPTOR SUBTYPE SPECIFIC LIGANDS NEUROGEN CORP (US) 2001-06-06 EP claimed
EP-1081142-A2 Novel N-Aminoalkylfluorenecarboxamides; a new class of dopamine receptor subtype specific ligands NEUROGEN CORPORATION (US) 2001-03-07 EP claimed
EP-0873329-B1 NOVEL N-AMINOALKYLFLUORENECARBOXAMIDES; A NEW CLASS OF DOPAMINE RECEPTOR SUBTYPE SPECIFIC LIGANDS NEUROGEN CORP (US) 2001-06-06 EP disclosed
EP-1081142-A2 Novel N-Aminoalkylfluorenecarboxamides; a new class of dopamine receptor subtype specific ligands NEUROGEN CORPORATION (US) 2001-03-07 EP disclosed
US-6015900-A FOR TREATMENT OF PSYCHOTIC OR CENTRAL NERVOUS SYSTEM DISORDERS NEUROGEN CORPORATION (US) 2000-01-18 US disclosed
US-5659033-A PSYCHOLOGICAL DISORDERS NEUROGEN CORPORATION (US) 1997-08-19 US disclosed