SCHEMBL7413731

SCHEMBL7413731

CCOC(=O)CCC=CNC(=O)CC1CCN(c2ccc(C(=N)N)cc2)C1=O

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 13/20 0.56
ITGA2B P08514 13/20 0.56
PRSS1 P07477 7/20 0.42
PRSS2 P07478 7/20 0.42
PRSS3 P35030 7/20 0.42
F10 P00742 6/20 0.42
F2 P00734 4/20 0.38
F9 P00740 2/20 0.38
PLG P00747 1/20 0.35
ST14 Q9Y5Y6 1/20 0.35

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
SCHEMBL27351410 1.00 ITGB3 (0.56) ITGB3ITGA2BPRSS1PRSS2PRSS3
SCHEMBL27351404 0.95 ITGB3 (0.53) ITGB3ITGA2BPRSS1PRSS2PRSS3
SCHEMBL27368171 0.91 ITGB3 (0.49) ITGB3ITGA2BPRSS1PRSS2PRSS3
SCHEMBL7417376 0.87 ITGB3 (0.43) ITGB3ITGA2B
SCHEMBL7417379 0.87 ITGB3 (0.43) ITGB3ITGA2B
SCHEMBL7418895 0.85 ITGB3 (0.71) ITGB3ITGA2BPRSS1PRSS2PRSS3
SCHEMBL7420246 0.84 ITGB3 (0.73) ITGB3ITGA2BPRSS1PRSS2PRSS3
SCHEMBL27350762 0.84 ITGB3 (0.73) ITGB3ITGA2BPRSS1PRSS2PRSS3
SCHEMBL7419097 0.82 ITGB3 (0.42) ITGB3ITGA2BF10F9
SCHEMBL7419100 0.82 ITGB3 (0.42) ITGB3ITGA2BF10F9

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 4 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 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