SCHEMBL27366188

SCHEMBL27366188

CCOC(=O)C[C@H](NC(=O)C[C@H]1CCCN(c2ccc(C(=N)N)cc2)C1=O)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 15/20 0.48
ITGA2B P08514 15/20 0.48
F10 P00742 6/20 0.48
F2 P00734 4/20 0.48
LMNA P02545 1/20 0.43
PRSS1 P07477 4/20 0.39
PRSS2 P07478 3/20 0.39
PRSS3 P35030 3/20 0.39

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
SCHEMBL7420891 1.00 ITGB3 (0.48) ITGB3ITGA2BF10F2LMNA
SCHEMBL7410866 1.00 ITGB3 (0.48) ITGB3ITGA2BF10F2LMNA
SCHEMBL7421976 0.95 ITGB3 (0.51) ITGB3ITGA2BF10F2LMNA
SCHEMBL7422392 0.91 ITGB3 (0.46) ITGB3ITGA2BF10F2LMNA
SCHEMBL7533394 0.89 ITGB3 (0.46) ITGB3ITGA2BF10F2PRSS1
SCHEMBL7420050 0.89 ITGB3 (0.46) ITGB3ITGA2BF10F2PRSS1
SCHEMBL7533390 0.89 ITGB3 (0.46) ITGB3ITGA2BF10F2PRSS1
SCHEMBL7419407 0.89 ITGB3 (0.52) ITGB3ITGA2BF10F2
SCHEMBL7412389 0.89 ITGB3 (0.52) ITGB3ITGA2BF10F2
SCHEMBL7421592 0.88 ITGB3 (0.46) ITGB3ITGA2BF10F2PRSS1

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