SCHEMBL8310445

SCHEMBL8310445

NCCc1ccc(Cl)c(Cl)c1CCO

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 9/20 0.48
PNMT P11086 2/20 0.37
MAOB P27338 2/20 0.36
HTR2A P28223 2/20 0.33
TRPM8 Q7Z2W7 1/20 0.33
MEN1 O00255 1/20 0.31
GAPDH P04406 1/20 0.31
THRB P10828 1/20 0.31
APEX1 P27695 1/20 0.31
RAD52 P43351 1/20 0.31
RECQL P46063 1/20 0.31
BLM P54132 1/20 0.31
KMT2A Q03164 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
SCHEMBL7262984 0.87 PNMT (0.45) TAAR1PNMTMEN1KMT2A
SCHEMBL3414586 0.78 CYP3A4 (0.39) TAAR1MEN1THRBRECQLBLM
SCHEMBL8315290 0.77 TAAR1 (0.47) TAAR1HTR2AMEN1BLMKMT2A
Hydrochloric Acid SCHEMBL8590378 0.76 TAAR1 (0.46) TAAR1HTR2AMEN1BLMKMT2A
SCHEMBL8893652 0.76 TAAR1 (0.65) TAAR1PNMTMAOBHTR2A
SCHEMBL6953644 0.73 TAAR1 (0.62) TAAR1PNMTMAOBHTR2A
SCHEMBL10639814 0.72 CYP3A4 (0.50) MEN1THRBRECQLBLMKMT2A
SCHEMBL11337140 0.72 TLR8 (0.35) PNMT
SCHEMBL20563034 0.71 TAAR1 (0.53) TAAR1PNMTMAOBHTR2A
SCHEMBL8279449 0.71 PNMT (0.43) TAAR1PNMT

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0591040-B1 Quaternary basic amides as tachykinines antagonists SANOFI SA (FR) 1999-02-03 EP disclosed
EP-0698601-B1 Process for the preparation of the (-)-N-methyl-N-[4-(4-phenyl-4-acetyl-aminopiperidin-1-yl)-2-(3,4-dichlorophenyl)butyl]-benzamide and its pharmaceutically acceptable salts SANOFI SA (FR) 1998-11-04 EP disclosed
US-5712288-A TACHYKININ ANTAGONIST, ANTIINFLAMMATORY, ANTIALLERGEN SANOFI (FR) 1998-01-27 US disclosed
US-5679693-A TREATMENT OF PATHOLOGICAL CONDITIONS INVOLVING THE TACHYKININ SYSTEM SANOFI (FR) 1997-10-21 US disclosed
US-5583134-A QUATERNARY BASIC AMIDE DERIVATIVES; USEFUL FOR TREATING PATHOLOGICAL CONDITION INVOLVING THE TACHYKININ SYSTEM SANOFI (FR) 1996-12-10 US disclosed
US-5554763-A TACHYKININ ANTAGONISTS SANOFI (FR) 1996-09-10 US disclosed
US-5350852-A Neurokinin A receptor antagonist SANOFI (FR) 1994-09-27 US disclosed
EP-0591040-A1 Quaternary basic amides as tachykinines antagonists SANOFI (FR) 1994-04-06 EP disclosed
US-5236921-A Administrering for treatment of neutrogenic inflammation of the respiratory trart SANOFI (FR) 1993-08-17 US disclosed