Hydrochloric Acid

Hydrochloric Acid

SCHEMBL7932213

CN1CCNCCN(C)CC([Ti+3])(c2ccccc2)N(C)CC1.[Cl-].[Cl-].[Cl-]

nearest known ligand 0.45

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ACHEBDKRB2CHRM1CHRM2CHRM3CHRNA1CHRNB1CHRNDCHRNECHRNGGUCY1A1GUCY1A2GUCY1B1GUCY1B2NAMPTPTAFRSLC10A2SLC6A2SLC6A3TACR1dacAdacBdacCftsImrcAmrcBmrdA

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
CHRM2 known ✓ P08172 1/20 0.35
CHRM3 known ✓ P20309 1/20 0.35
OPRM1 P35372 9/20 0.45
DRD4 P21917 1/20 0.45
SIGMAR1 Q99720 2/20 0.35
HTR3E A5X5Y0 1/20 0.35
HTR3B O95264 1/20 0.35
ADRB1 P08588 1/20 0.35
HTR3A P46098 1/20 0.35
HTR3D Q70Z44 1/20 0.35
HTR3C Q8WXA8 1/20 0.35
GRIN1 Q05586 2/20 0.35
GRIN2A Q12879 2/20 0.35
GRIN2B Q13224 1/20 0.35
TSHR P16473 2/20 0.34
DRD2 P14416 1/20 0.34
USP2 O75604 2/20 0.33
CYP2D6 P10635 2/20 0.33
SLC22A1 O15245 1/20 0.33
SLC6A4 P31645 1/20 0.33

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
Hydrochloric Acid SCHEMBL7934993 0.87 HTR2A (0.41) OPRM1DRD4CHRM2CHRM3SIGMAR1
Hydrochloric Acid SCHEMBL7925631 0.78 CYP2D6 (0.41) OPRM1DRD4CHRM2CHRM3GRIN1
Hydrochloric Acid SCHEMBL7934514 0.78 OPRM1 (0.44) OPRM1DRD4CHRM2CHRM3GRIN1
Hydrochloric Acid SCHEMBL7925596 0.74 HTR2A (0.35) OPRM1DRD4CHRM2CHRM3SIGMAR1
Hydrochloric Acid SCHEMBL7925624 0.73 PHGDH (0.31)
Hydrochloric Acid SCHEMBL7938288 0.71 PHGDH (0.30)
Hydrochloric Acid SCHEMBL7925583 0.70 MMP2 (0.36) SLC6A4HTR2A
SCHEMBL2192079 0.70 OPRM1 (0.55) OPRM1DRD4CHRM2CHRM3GRIN1
Biphenyl SCHEMBL10725648 0.69 HTR1A (0.53) SIGMAR1HTR3EHTR3BADRB1HTR3A
Hydrochloric Acid SCHEMBL7934340 0.69

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-6169152-B1 COPOLYMER OF ETHYLENE AND A POLAR GROUP-CONTAINING CYCLIC OLEFIN COMPRISING ESTER- OR ANHYDRIDE MODIFIED NORBORNENE OR PERHYDRO-2,3-DIDEHYDRO-1,4:5,8-DIMETHANONAPHTHALENE MADE WITH CATALYST SUCH AS 1,5,9-TRIAZACYCLODODECANYLTITANIUM CHLORIDE JSR CORPORATION (JP) 2001-01-02 US disclosed
EP-0816387-A1 Olefin-polymerizing catalyst JAPAN SYNTHETIC RUBBER CO., LTD. (JP) 1998-01-07 EP disclosed