Hydrochloric Acid

Hydrochloric Acid

SCHEMBL2876219

CCOC(=O)c1ccc(N)cc1N(CC)CC.Cl

nearest known ligand 0.49

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
MAOA known ✓ P21397 2/20 0.49
CHRM2 known ✓ P08172 1/20 0.48
CHRM3 known ✓ P20309 1/20 0.48
HTR2C known ✓ P28335 1/20 0.48
HTR3A known ✓ P46098 1/20 0.48
KCNH2 known ✓ Q12809 1/20 0.48
HRH3 known ✓ Q9Y5N1 1/20 0.48
GAA known ✓ P10253 4/20 0.47
CA2 known ✓ P00918 2/20 0.45
SCN1A known ✓ P35498 1/20 0.45
SCN2A known ✓ Q99250 1/20 0.45
SCN3A known ✓ Q9NY46 1/20 0.45
MAOB known ✓ P27338 1/20 0.42
LMNA P02545 2/20 0.49
CYP1A2 P05177 2/20 0.49
CYP3A4 P08684 1/20 0.49
CHRNA4 P43681 1/20 0.48
ALDH1A1 P00352 5/20 0.47
HSD17B10 Q99714 3/20 0.47
SMN1; SMN2 Q16637 3/20 0.47

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
SCHEMBL3418853 0.98 MAOA (0.50) MAOALMNACYP1A2CYP3A4CHRM2
SCHEMBL9695770 0.80 GAA (0.44) ALDH1A1GAAHSD17B10SMN1; SMN2MAPT
SCHEMBL28174299 0.80 MAPT (0.41) MAOACYP1A2CYP3A4CHRM2CHRM3
SCHEMBL8378141 0.80 ALDH1A1 (0.53) MAOACYP1A2CYP3A4CHRM2CHRM3
SCHEMBL2888716 0.79 TSHR (0.60) MAOALMNACYP1A2CYP3A4CHRM2
SCHEMBL2132644 0.78 ALDH1A1 (0.64) MAOALMNACYP1A2CYP3A4CHRM2
SCHEMBL754826 0.78 LMNA (0.62) MAOALMNACYP1A2CYP3A4CHRM2
SCHEMBL29375324 0.78 ALDH1A1 (0.64) MAOALMNACYP1A2CYP3A4CHRM2
SCHEMBL28122565 0.77 TP53 (0.44) ALDH1A1GAAHSD17B10SMN1; SMN2MAPT
Hydrochloric Acid SCHEMBL27783041 0.77 MAOA (0.66) MAOALMNACYP1A2CYP3A4CHRM2

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
WO-2010104576-A1 METHODS FOR TREATING JOINTS AND DISCS WITH A CARRIER MATRIX AND CELLS SPINAL RESTORATION, INC. (US) 2010-09-16 WO disclosed
WO-2010104577-A2 METHODS AND KITS FOR TREATING JOINTS AND SOFT TISSUES SPINAL RESTORATION, INC. (US) 2010-09-16 WO disclosed
WO-2010104578-A1 METHODS FOR TREATING SOFT TISSUE DAMAGE ASSOCIATED WITH A SURGICAL PROCEDURE SPINAL RESTORATION, INC. (US) 2010-09-16 WO disclosed
US-20090181092-A1 Methods for Treating Joints and Discs with a Carrier Matrix and Cells SPINAL RESTORATION, INC. 2009-07-16 US disclosed
US-20090181892-A1 METHODS AND KITS FOR TREATING JOINTS AND SOFT TISSUES SPINAL RESTORATION, INC. 2009-07-16 US disclosed
US-20090181093-A1 METHODS FOR TREATING SOFT TISSUE DAMAGE ASSOCIATED WITH A SURGICAL PROCEDURE SPINAL RESTORATION, INC. 2009-07-16 US disclosed