SCHEMBL6885356

SCHEMBL6885356

CC(C)C[C@@H](C(=O)NCC(C)(C)c1ccccc1)N(C)C(=O)[C@H](Cc1cnc[nH]1)NC(=O)OCc1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HRAS P01112 8/20 0.62
REN P00797 4/20 0.49
MMP3 P08254 1/20 0.48
CTSB P07858 1/20 0.47
CTSK P43235 1/20 0.47
FNTA P49354 1/20 0.47
FNTB P49356 1/20 0.47
MME P08473 1/20 0.45
ECE1 P42892 1/20 0.45

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 0.93 HRAS (0.65) HRASRENFNTAFNTBMME
SCHEMBL6890309 0.90 HRAS (0.63) HRASRENFNTAFNTBMME
SCHEMBL6885355 0.89 HRAS (0.62) HRASRENFNTAFNTBMME
SCHEMBL7949405 0.88 HRAS (0.65) HRASRENFNTAFNTBMME
SCHEMBL7654355 0.83 HRAS (0.65) HRASRENFNTAFNTBMME
SCHEMBL7654359 0.83 HRAS (0.65) HRASRENFNTAFNTBMME
SCHEMBL7654347 0.83 HRAS (0.65) HRASRENFNTAFNTBMME
SCHEMBL27550462 0.81 HRAS (0.61) HRASMMP3FNTAFNTBMME
SCHEMBL6888949 0.81 HRAS (0.49) HRASREN
SCHEMBL6891485 0.80 NMBR (0.49) HRASCTSBCTSK

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
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