Hydrochloric Acid

Hydrochloric Acid

SCHEMBL7925591

CN1CCN(C)CC(Oc2ccccc2)N([Ti+3])CC1.[Cl-].[Cl-].[Cl-]

nearest known ligand 0.39

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
SLC6A3 known ✓ Q01959 2/20 0.37
SLC6A2 known ✓ P23975 1/20 0.37
CHRM1 known ✓ P11229 2/20 0.35
CHRM2 known ✓ P08172 1/20 0.34
CHRM3 known ✓ P20309 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.38
TDP1 Q9NUW8 1/20 0.37
CARM1 Q86X55 1/20 0.35
PRMT6 Q96LA8 1/20 0.35
CYP2D6 P10635 2/20 0.35
CYP3A4 P08684 1/20 0.35
HRH4 Q9H3N8 1/20 0.35
DRD1 P21728 2/20 0.34
MC4R P32245 1/20 0.34
CHRM4 P08173 1/20 0.34
CHRM5 P08912 1/20 0.34
ADRA2A P08913 1/20 0.34
ADORA3 P0DMS8 1/20 0.34
ADRA1D P25100 1/20 0.34
HTR2A P28223 1/20 0.34

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 SCHEMBL7934926 0.79 SMN1; SMN2 (0.43) SMN1; SMN2SLC6A3SLC6A2TDP1CARM1
Hydrochloric Acid SCHEMBL7938198 0.78 SLC6A2 (0.39) SMN1; SMN2SLC6A3SLC6A2CARM1PRMT6
Hydrochloric Acid SCHEMBL7932281 0.75 SLC6A2 (0.41) SMN1; SMN2SLC6A3SLC6A2CARM1PRMT6
SCHEMBL16707767 0.74 SLC6A2 (0.53) SMN1; SMN2SLC6A3SLC6A2CARM1PRMT6
Hydrochloric Acid SCHEMBL7934999 0.72 CHRNB2 (0.43) SMN1; SMN2SLC6A3SLC6A2CYP2D6CYP3A4
Hydrochloric Acid SCHEMBL8679304 0.72 CHRNB2 (0.43) SMN1; SMN2SLC6A3SLC6A2CYP2D6CYP3A4
Hydrochloric Acid SCHEMBL8682355 0.72
Hydrochloric Acid SCHEMBL7932377 0.70 CHRNB2 (0.44) SMN1; SMN2SLC6A2CYP2D6CYP3A4CHRM1
SCHEMBL10262302 0.69 SMN1; SMN2 (0.59) SMN1; SMN2SLC6A3SLC6A2CARM1PRMT6
SCHEMBL714763 0.69 SMN1; SMN2 (0.59) SMN1; SMN2SLC6A3SLC6A2CARM1PRMT6

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