SCHEMBL6890934

SCHEMBL6890934

CN(C(=O)[C@H](Cc1c[nH]cn1)NC(=O)OCc1ccccc1)[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)NCC(C)(C)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HRAS P01112 8/20 0.56
ITGB3 P05106 3/20 0.43
ITGA2B P08514 3/20 0.43
FNTA P49354 1/20 0.41
FNTB P49356 1/20 0.41
PSMB1 P20618 1/20 0.41
PSMB8 P28062 1/20 0.41
PSMB9 P28065 1/20 0.41
PSMB5 P28074 1/20 0.41
PSMB10 P40306 1/20 0.41
PSMB2 P49721 1/20 0.41
KLKB1 P03952 1/20 0.41
KLK1 P06870 1/20 0.41
CTSK P43235 2/20 0.40
CTSL P07711 1/20 0.40
CTSB P07858 1/20 0.40
CTSS P25774 1/20 0.40

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
SCHEMBL6887237 0.94 HRAS (0.51) HRASITGB3ITGA2BKLKB1KLK1
SCHEMBL6884729 0.91 HRAS (0.49) HRASFNTAFNTBPSMB1PSMB8
SCHEMBL7941299 0.88 HRAS (0.46) HRASITGB3ITGA2BFNTAFNTB
SCHEMBL6885242 0.88 HRAS (0.46) HRASITGB3ITGA2BFNTAFNTB
SCHEMBL6885238 0.88 HRAS (0.46) HRASITGB3ITGA2BFNTAFNTB
SCHEMBL6888605 0.87 HRAS (0.53) HRASITGB3ITGA2BFNTAFNTB
SCHEMBL6890589 0.86 HRAS (0.50) HRASITGB3ITGA2B
SCHEMBL14193151 0.84 HRAS (0.77) HRASITGB3ITGA2BFNTAFNTB
SCHEMBL6888608 0.82 HRAS (0.46) HRASITGB3ITGA2BFNTAFNTB
SCHEMBL7949405 0.81 HRAS (0.65) HRASFNTAFNTB

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