SCHEMBL7426420

SCHEMBL7426420

CCOC(=O)CC(C#CC(C)(C)C)NC(=O)CC1CCCN(c2ccc(C=NN)cc2)C1=O

nearest known ligand 0.34

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 4/20 0.34
ITGA2B P08514 4/20 0.34
MMEL1 Q495T6 1/20 0.30

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
SCHEMBL7422085 0.91 ITGB3 (0.42) ITGB3ITGA2B
SCHEMBL7527543 0.90 ITGB3 (0.36) ITGB3ITGA2BMMEL1
SCHEMBL8115196 0.90 ITGB3 (0.36) ITGB3ITGA2BMMEL1
SCHEMBL7421146 0.89 ITGB3 (0.43) ITGB3ITGA2BMMEL1
SCHEMBL7421033 0.89 ITGB3 (0.43) ITGB3ITGA2BMMEL1
SCHEMBL7417576 0.88 ITGB3 (0.35) ITGB3ITGA2BMMEL1
SCHEMBL7426412 0.87 ITGB3 (0.46) ITGB3ITGA2B
SCHEMBL7421037 0.85 ITGB3 (0.36) ITGB3ITGA2BMMEL1
SCHEMBL7418875 0.85 ITGB3 (0.36) ITGB3ITGA2BMMEL1
SCHEMBL7423411 0.84 ITGB3 (0.41) 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 7 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
CN-1124957-A 1-amidinophenyl-pyrrolidones piperidinones azetinones as platelet aggregation inhibitors SEARLE & CO (US) 1996-06-19 CN 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