SCHEMBL6983683

SCHEMBL6983683

N=C(N)c1ccc(NC(=O)CCC(=O)NC(CC(=O)O)c2cccs2)cc1

nearest known ligand 0.71

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 20/20 0.71
ITGA2B P08514 20/20 0.71

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
SCHEMBL6981913 0.86 ITGB3 (0.63) ITGB3ITGA2B
SCHEMBL7385978 0.83 ITGB3 (0.72) ITGB3ITGA2B
SCHEMBL7178442 0.83 ITGB3 (1.00) ITGB3ITGA2B
SCHEMBL6983705 0.81 ITGB3 (0.47) ITGB3ITGA2B
SCHEMBL6985437 0.80 ITGB3 (0.72) ITGB3ITGA2B
SCHEMBL7346023 0.80 ITGB3 (0.76) ITGB3ITGA2B
SCHEMBL8031013 0.79 ITGB3 (0.83) ITGB3ITGA2B
SCHEMBL7345475 0.79 ITGB3 (0.80) ITGB3ITGA2B
SCHEMBL7345140 0.77 ITGB3 (0.77) ITGB3ITGA2B
SCHEMBL6978255 0.77 ITGB3 (1.00) 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-0630366-B1 SUBSTITUTED HETEROCYCLIC DERIVATIVES USEFUL AS PLATELET AGGREGATION INHIBITORS SEARLE & CO (US) 2003-01-02 EP disclosed
EP-0539343-B1 Substituted heterocyclic derivatives useful as platelet aggregation inhibitors MONSANTO CO (US) 2000-07-26 EP disclosed
US-5378727-A ADMINISTERING TO MAMMALS G. D. SEARLE & CO. (US) 1995-01-03 US disclosed
US-5254573-A Substituted heterocyclic derivatives useful as platelet aggregation inhibitors MONSANTO COMPANY (US) 1993-10-19 US disclosed
EP-0539343-A1 Substituted heterocyclic derivatives useful as platelet aggregation inhibitors MONSANTO COMPANY (US) 1993-04-28 EP disclosed