Hydrochloric Acid

Hydrochloric Acid

SCHEMBL7925596

CN1CCNCCNCC([Ti+2])(c2ccccc2)N(C)CC1.[Cl-].[Cl-]

nearest known ligand 0.37

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 2/20 0.34
CHRM3 known ✓ P20309 2/20 0.34
CHRM1 known ✓ P11229 2/20 0.31
SLC6A3 known ✓ Q01959 1/20 0.31
HTR2A P28223 3/20 0.35
OPRM1 P35372 5/20 0.33
SIGMAR1 Q99720 4/20 0.33
ADRB1 P08588 2/20 0.33
HTR3E A5X5Y0 1/20 0.33
HTR3B O95264 1/20 0.33
HTR3A P46098 1/20 0.33
HTR3D Q70Z44 1/20 0.33
HTR3C Q8WXA8 1/20 0.33
DRD4 P21917 1/20 0.33
HTR2C P28335 2/20 0.32
HTR2B P41595 2/20 0.32
MC4R P32245 1/20 0.31
CHRM4 P08173 1/20 0.31
CHRM5 P08912 1/20 0.31
ADRA2A P08913 1/20 0.31

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 0.78 HTR2A (0.41) HTR2ACHRM2CHRM3OPRM1SIGMAR1
Hydrochloric Acid SCHEMBL7932213 0.74 OPRM1 (0.45) HTR2ACHRM2CHRM3OPRM1SIGMAR1
Hydrochloric Acid SCHEMBL7936261 0.73 OPRM1 (0.38) HTR2ACHRM2CHRM3OPRM1DRD4
Hydrochloric Acid SCHEMBL7938243 0.72 SOS1 (0.35)
Hydrochloric Acid SCHEMBL7925583 0.71 MMP2 (0.36) HTR2AHTR2CHTR2BCHRM1MC4R
Hydrochloric Acid SCHEMBL7932204 0.71 SOS1 (0.38)
SCHEMBL7245634 0.71 HTR2A (0.44) HTR2ACHRM2CHRM3OPRM1SIGMAR1
Hydrochloric Acid SCHEMBL7938261 0.69 SOS1 (0.33)
Hydrochloric Acid SCHEMBL7932332 0.68 SOS1 (0.32)
Biphenyl SCHEMBL10725648 0.68 HTR1A (0.53) HTR2ASIGMAR1ADRB1HTR3EHTR3B

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