SCHEMBL6890914

SCHEMBL6890914

CN[C@@H](Cc1ccc(OCc2ccccc2)cc1)CN(CC1(c2ccccc2)CCC1)C(=O)C(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.41
MAOB P27338 4/20 0.40
HRAS P01112 2/20 0.39
MMP9 P14780 1/20 0.39
MMP8 P22894 1/20 0.39
LAP3 P28838 1/20 0.38
ALOX5 P09917 1/20 0.38
PPARG P37231 3/20 0.38
PPARA Q07869 2/20 0.38
PPARD Q03181 1/20 0.37
GPR34 Q9UPC5 1/20 0.37

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
Trifluoroacetic Acid SCHEMBL6890911 0.77 FPR2 (0.51) LTA4HHRASMMP9MMP8PPARG
SCHEMBL8645042 0.75 KDM4E (0.40) LTA4HMAOBMMP9MMP8ALOX5
SCHEMBL17923855 0.70 LTA4H (0.52) LTA4HMAOBMMP9MMP8PPARG
SCHEMBL13191914 0.70 LTA4H (0.52) LTA4HMAOBMMP9MMP8PPARG
SCHEMBL12379296 0.68 LTA4H (0.50) LTA4HMAOBMMP9MMP8PPARG
SCHEMBL6885351 0.67 HRAS (0.43) LTA4HMAOBHRAS
SCHEMBL19043407 0.67 BCHE (0.53) LTA4HMAOBMMP9MMP8ALOX5
SCHEMBL16174216 0.67 BCHE (0.53) LTA4HMAOBMMP9MMP8ALOX5
SCHEMBL17923771 0.66 LTA4H (0.52) LTA4HMAOBMMP9MMP8PPARG
SCHEMBL17923773 0.66 LTA4H (0.52) LTA4HMAOBMMP9MMP8PPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6737410-B1 SMOOTH MUSCLE ANTIPROLIFERATION AGENTS; SUCH AS 1-((2-(4-BENZYLOXY-PHENYL)-1-PHENETHYLCARBAMOYL-ETHYL)-METHYL-CARBAMOYL)-2 -(1H-IMIDAZOL-4-YL)-ETHYL)-CARBAMIC ACID BENZYL ESTER WARNER-LAMBERT COMPANY 2004-05-18 US disclosed
US-6265382-B1 E.G., (S--(R*, R*))-(1-((2-(4-BENZYLOXY-PHENYL)-1-PHENETHYLCARBAMOYL-ETHYL)-M ETHYL-CARBAM OYL)-2-(1H-IMIDAZOL-4-YL)-ETHYL)-CARBAMIC ACID BENZYL ESTER WARNER-LAMBERT COMPANY 2001-07-24 US disclosed
WO-1998046625-A1 DIPEPTIDE INHIBITORS OF PROTEIN FARNESYLTRANSFERASE WARNER-LAMBERT COMPANY (US) 1998-10-22 WO disclosed