SCHEMBL27369760

SCHEMBL27369760

CCOC(=O)CCC#CNC(=O)CC1CCCN(c2ccc(C(=N)N)cc2)C1=O

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 10/20 0.53
ITGA2B P08514 10/20 0.53
PRSS1 P07477 7/20 0.41
PRSS2 P07478 7/20 0.41
PRSS3 P35030 7/20 0.41
F10 P00742 6/20 0.41
F9 P00740 3/20 0.40
F2 P00734 4/20 0.35
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
SCHEMBL27398645 1.00 ITGB3 (0.53) ITGB3ITGA2BPRSS1PRSS2PRSS3
SCHEMBL27529642 0.95 ITGB3 (0.57) ITGB3ITGA2BPRSS1PRSS2PRSS3
SCHEMBL7418954 0.86 ITGB3 (0.66) ITGB3ITGA2BPRSS1PRSS2PRSS3
SCHEMBL27348310 0.84 ITGB3 (0.59) ITGB3ITGA2BPRSS1PRSS2PRSS3
SCHEMBL27351404 0.82 ITGB3 (0.53) ITGB3ITGA2BPRSS1PRSS2PRSS3
SCHEMBL9028226 0.82 ITGB3 (0.44) ITGB3ITGA2B
SCHEMBL9028236 0.82 ITGB3 (0.44) ITGB3ITGA2B
SCHEMBL7418867 0.82 ITGB3 (0.51) ITGB3ITGA2BPRSS1PRSS2PRSS3
SCHEMBL7418871 0.82 ITGB3 (0.51) ITGB3ITGA2BPRSS1PRSS2PRSS3
SCHEMBL7421030 0.82 ITGB3 (0.51) ITGB3ITGA2BPRSS1PRSS2PRSS3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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