SCHEMBL7420050

SCHEMBL7420050

CCOC(=O)CC(NC(=O)CC1CCCN(c2ccc(C(=N)N)cc2)C1=O)c1ccsc1

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 13/20 0.46
ITGA2B P08514 13/20 0.46
F10 P00742 7/20 0.40
F2 P00734 5/20 0.40
F9 P00740 3/20 0.38
PRSS1 P07477 7/20 0.37
PRSS2 P07478 6/20 0.37
PRSS3 P35030 6/20 0.37

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
SCHEMBL7410866 0.89 ITGB3 (0.48) ITGB3ITGA2BF10F2PRSS1
SCHEMBL7420891 0.89 ITGB3 (0.48) ITGB3ITGA2BF10F2PRSS1
SCHEMBL27366188 0.89 ITGB3 (0.48) ITGB3ITGA2BF10F2PRSS1
SCHEMBL7423978 0.89 ITGB3 (0.41) ITGB3ITGA2BF9
SCHEMBL7420056 0.87 LMNA (0.33) ITGB3ITGA2B
SCHEMBL7422392 0.87 ITGB3 (0.46) ITGB3ITGA2BF10F2F9
SCHEMBL7533390 0.86 ITGB3 (0.46) ITGB3ITGA2BF10F2F9
SCHEMBL7533394 0.86 ITGB3 (0.46) ITGB3ITGA2BF10F2F9
SCHEMBL7418867 0.84 ITGB3 (0.51) ITGB3ITGA2BF10F2F9
SCHEMBL7418871 0.84 ITGB3 (0.51) ITGB3ITGA2BF10F2F9

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
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