SCHEMBL6888949

SCHEMBL6888949

CN(C(=O)[C@H](Cc1cnc[nH]1)NC(=O)NCc1ccccc1)[C@@H](Cc1ccccc1)C(=O)NCC(C)(C)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HRAS P01112 1/20 0.49
REN P00797 8/20 0.47
ANPEP P15144 1/20 0.40
ITGB2 P05107 1/20 0.39
ICAM1 P05362 1/20 0.39
ITGAL P20701 1/20 0.39
ATM Q13315 1/20 0.39

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
SCHEMBL6889505 0.87 HRAS (0.65) HRASREN
SCHEMBL6890309 0.84 HRAS (0.63) HRASREN
SCHEMBL6885355 0.83 HRAS (0.62) HRASREN
SCHEMBL7949405 0.83 HRAS (0.65) HRASREN
SCHEMBL6885356 0.81 HRAS (0.62) HRASREN
SCHEMBL7648657 0.79 HRAS (0.68) HRAS
SCHEMBL6889788 0.78 HRAS (0.51) HRASREN
SCHEMBL6889791 0.73 HRAS (0.48) HRAS
SCHEMBL7655420 0.72 HRAS (0.67) HRAS
SCHEMBL27550462 0.71 HRAS (0.61) HRAS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1998046625-A1 DIPEPTIDE INHIBITORS OF PROTEIN FARNESYLTRANSFERASE WARNER-LAMBERT COMPANY (US) 1998-10-22 WO claimed
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