SCHEMBL7423992

SCHEMBL7423992

NN=Cc1ccc(N2CCCC(CC(=O)NC(CC(=O)O)c3ccsc3)C2=O)cc1

nearest known ligand 0.40

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 7/20 0.40
ITGA2B P08514 6/20 0.40
ITGAV P06756 1/20 0.31

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
SCHEMBL7420056 0.90 LMNA (0.33) ITGB3ITGA2B
SCHEMBL7419412 0.89 ITGB3 (0.46) ITGB3ITGA2BITGAV
SCHEMBL8117189 0.85 ITGB3 (0.40) ITGB3ITGA2BITGAV
SCHEMBL7423978 0.85 ITGB3 (0.41) ITGB3ITGA2B
SCHEMBL8116572 0.85 ITGB3 (0.40) ITGB3ITGA2BITGAV
SCHEMBL7417886 0.84 ITGB3 (0.42) ITGB3ITGA2BITGAV
SCHEMBL7414406 0.83 ITGB3 (0.42) ITGB3ITGA2B
SCHEMBL8117264 0.83 ITGB3 (0.42) ITGB3ITGA2B
SCHEMBL7422771 0.83 ITGB3 (0.39) ITGB3ITGA2B
SCHEMBL7416285 0.81 ITGB3 (0.38) ITGB3ITGA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
WO-1994022820-A1 1-AMIDINOPHENYL-PYRROLIDONES PIPERIDINONES AZETINONES AS PLATELET AGGREGATION INHIBITORS G.D. SEARLE & CO. (US) 1994-10-13 WO disclosed