SCHEMBL6983954

SCHEMBL6983954

CN(C(=O)CCC(=O)NC(CC(=O)O)c1ncc[nH]1)c1ccc(C(=N)N)cc1

nearest known ligand 0.61

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 20/20 0.61
ITGA2B P08514 20/20 0.61

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
SCHEMBL6983594 0.88 ITGB3 (0.49) ITGB3ITGA2B
SCHEMBL9558456 0.81 ITGB3 (0.69) ITGB3ITGA2B
SCHEMBL9559116 0.72 ITGB3 (0.58) ITGB3ITGA2B
SCHEMBL6981209 0.71 F7 (0.39) ITGB3ITGA2B
SCHEMBL9558964 0.70 ITGB3 (0.69) ITGB3ITGA2B
SCHEMBL9258767 0.70 ITGB3 (0.43) ITGB3ITGA2B
SCHEMBL8886356 0.69 ITGB3 (0.59) ITGB3ITGA2B
SCHEMBL6983967 0.66 ITGB3 (0.51) ITGB3ITGA2B
SCHEMBL6778931 0.66 ITGB3 (0.45) ITGB3
SCHEMBL6976581 0.65 ITGB3 (0.48) 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