SCHEMBL9029463

SCHEMBL9029463

C[Si](C)(C)C#CCC(NC(=O)CC1CCCN(c2ccc(C=NN)cc2)C1=O)C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 3/20 0.36
ITGA2B P08514 3/20 0.36
AVPR2 P30518 2/20 0.30
AVPR1A P37288 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
SCHEMBL9029476 1.00 ITGB3 (0.36) ITGB3ITGA2BAVPR2AVPR1A
SCHEMBL27366172 0.90 ITGB3 (0.33) ITGB3ITGA2B
SCHEMBL7424236 0.87 ITGB3 (0.36) ITGB3ITGA2BAVPR2AVPR1A
SCHEMBL7424245 0.87 ITGB3 (0.36) ITGB3ITGA2BAVPR2AVPR1A
SCHEMBL9029449 0.85 F9 (0.40) ITGB3ITGA2B
SCHEMBL8110671 0.85 F9 (0.40) ITGB3ITGA2B
SCHEMBL7419108 0.84 ITGB3 (0.35) ITGB3ITGA2BAVPR2AVPR1A
SCHEMBL7421385 0.83 ITGB3 (0.44) ITGB3ITGA2B
SCHEMBL7417001 0.83 ITGB3 (0.44) ITGB3ITGA2B
SCHEMBL8108831 0.83 ITGB3 (0.35) 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 3 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
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