SCHEMBL7416611

SCHEMBL7416611

N=C(N)c1ccc(N2CCCC(CC(=O)NC(C#Cc3ccccc3)CC(=O)O)C2=O)cc1

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 17/20 0.43
ITGA2B P08514 17/20 0.43
F2R P25116 1/20 0.41
F10 P00742 1/20 0.40
IL2RA P01589 1/20 0.37
ALB P02768 1/20 0.37
IL2 P60568 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
SCHEMBL7417270 0.90 ITGB3 (0.45) ITGB3ITGA2BF10IL2RAALB
SCHEMBL7416989 0.87 ITGB3 (0.57) ITGB3ITGA2B
SCHEMBL7416994 0.87 ITGB3 (0.57) ITGB3ITGA2B
SCHEMBL7416997 0.87 ITGB3 (0.57) ITGB3ITGA2B
SCHEMBL7418292 0.87 ITGB3 (0.55) ITGB3ITGA2BF10
SCHEMBL7418289 0.87 ITGB3 (0.55) ITGB3ITGA2BF10
SCHEMBL7418295 0.87 ITGB3 (0.55) ITGB3ITGA2BF10
SCHEMBL7422078 0.86 ITGB3 (0.56) ITGB3ITGA2B
SCHEMBL9028509 0.86 ITGB3 (0.43) ITGB3ITGA2BF2RIL2RAALB
SCHEMBL7416622 0.85 ITGB3 (0.42) ITGB3ITGA2BF2RF10IL2RA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0691953-B1 1-AMIDINOPHENYL-PYRROLIDONES/ PIPERIDINONES AS PLATELET AGGREGATION INHIBITORS SEARLE & CO (US) 2000-08-02 EP claimed
CN-1054842-C Platelet aggregation inhibitors SEARLE & CO (US) 2000-07-26 CN claimed
JP-3034046-B2 2000-04-17 JP claimed
CN-1124957-A 1-amidinophenyl-pyrrolidones piperidinones azetinones as platelet aggregation inhibitors SEARLE & CO (US) 1996-06-19 CN claimed
EP-0691953-A1 1-AMIDINOPHENYL-PYRROLIDONES PIPERIDINONES AZETINONES AS PLATELET AGGREGATION INHIBITORS G.D. SEARLE & CO. (US) 1996-01-17 EP claimed
WO-1994022820-A1 1-AMIDINOPHENYL-PYRROLIDONES PIPERIDINONES AZETINONES AS PLATELET AGGREGATION INHIBITORS G.D. SEARLE & CO. (US) 1994-10-13 WO claimed
EP-0691953-B1 1-AMIDINOPHENYL-PYRROLIDONES/ PIPERIDINONES AS PLATELET AGGREGATION INHIBITORS SEARLE & CO (US) 2000-08-02 EP disclosed
CN-1054842-C Platelet aggregation inhibitors SEARLE & CO (US) 2000-07-26 CN disclosed
CN-1124957-A 1-amidinophenyl-pyrrolidones piperidinones azetinones as platelet aggregation inhibitors SEARLE & CO (US) 1996-06-19 CN disclosed
EP-0691953-A1 1-AMIDINOPHENYL-PYRROLIDONES PIPERIDINONES AZETINONES AS PLATELET AGGREGATION INHIBITORS G.D. SEARLE & CO. (US) 1996-01-17 EP disclosed
WO-1994022820-A1 1-AMIDINOPHENYL-PYRROLIDONES PIPERIDINONES AZETINONES AS PLATELET AGGREGATION INHIBITORS G.D. SEARLE & CO. (US) 1994-10-13 WO disclosed