Hydrochloric Acid

Hydrochloric Acid

SCHEMBL7925583

CN1CCNCC([Ti+3])(Oc2ccccc2)N(C)CC1.[Cl-].[Cl-].[Cl-]

nearest known ligand 0.36

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 19)

geneUniProtsupporting neighboursconfidence
SLC6A2 known ✓ P23975 1/20 0.32
SLC6A3 known ✓ Q01959 1/20 0.32
CHRM1 known ✓ P11229 1/20 0.32
MMP2 P08253 2/20 0.36
MMP9 P14780 2/20 0.36
LTA4H P09960 1/20 0.33
MC4R P32245 2/20 0.33
HTR1A P08908 1/20 0.32
SLC6A4 P31645 1/20 0.32
HRH4 Q9H3N8 1/20 0.32
HTR2A P28223 2/20 0.31
KMT2A Q03164 1/20 0.31
HTR2C P28335 1/20 0.31
HTR2B P41595 1/20 0.31
NPC1 O15118 1/20 0.31
MAPT P10636 1/20 0.31
POLB P06746 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
TDP1 Q9NUW8 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 0.77 HTR2A (0.41) MC4RSLC6A4SLC6A3CHRM1HTR2A
Hydrochloric Acid SCHEMBL7934502 0.76 SOS1 (0.34)
Hydrochloric Acid SCHEMBL7934919 0.75 MMP2 (0.37) MMP2MMP9LTA4HSLC6A4KMT2A
Hydrochloric Acid SCHEMBL7925596 0.71 HTR2A (0.35) MC4RSLC6A3CHRM1HTR2AKMT2A
Hydrochloric Acid SCHEMBL7932213 0.70 OPRM1 (0.45) SLC6A4HTR2A
Hydrochloric Acid SCHEMBL7934970 0.68 SOS1 (0.37)
SCHEMBL7245634 0.66 HTR2A (0.44) SLC6A2SLC6A4SLC6A3HTR2AKMT2A
Hydrochloric Acid SCHEMBL7934340 0.66
Methylpiperazine SCHEMBL27973873 0.66 MEN1 (0.46) MC4RHTR1ASLC6A2SLC6A4SLC6A3
Hydrochloric Acid SCHEMBL7932341 0.65 HRH1 (0.36) MMP2MMP9LTA4HMC4RHTR1A

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