SCHEMBL7416285

SCHEMBL7416285

C=C[C@H](CC(=O)O)NC(=O)CC1CCCN(c2ccc(C=NN)cc2)C1=O

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 9/20 0.38
ITGA2B P08514 9/20 0.38
CASP1 P29466 2/20 0.31
F2 P00734 3/20 0.31
ITGB1 P05556 1/20 0.31
ITGA4 P13612 1/20 0.31
HTT P42858 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
SCHEMBL7419739 0.94 ITGB3 (0.38) ITGB3ITGA2BHTT
SCHEMBL7419044 0.89 ITGB3 (0.34) ITGB3ITGA2BHTT
SCHEMBL7414406 0.87 ITGB3 (0.42) ITGB3ITGA2BHTT
SCHEMBL8117264 0.87 ITGB3 (0.42) ITGB3ITGA2BHTT
SCHEMBL7418297 0.85 ITGB3 (0.54) ITGB3ITGA2BHTT
SCHEMBL7419412 0.85 ITGB3 (0.46) ITGB3ITGA2B
SCHEMBL7422459 0.85 ITGB3 (0.54) ITGB3ITGA2BHTT
SCHEMBL7416273 0.84 ITGB3 (0.52) ITGB3ITGA2B
SCHEMBL7416268 0.84 ITGB3 (0.52) ITGB3ITGA2B
SCHEMBL7416280 0.84 ITGB3 (0.52) 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 5 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
JP-3034046-B2 2000-04-17 JP 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
WO-1994022820-A1 1-AMIDINOPHENYL-PYRROLIDONES PIPERIDINONES AZETINONES AS PLATELET AGGREGATION INHIBITORS G.D. SEARLE & CO. (US) 1994-10-13 WO disclosed