SCHEMBL8077503

SCHEMBL8077503

N=C(N)c1cc(F)c(NC(=O)CCC(=O)NC(CC(=O)O)c2cc[nH]n2)c(F)c1

nearest known ligand 0.52

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 20/20 0.52
ITGA2B P08514 20/20 0.52

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
SCHEMBL9558867 0.82 ITGB3 (0.69) ITGB3ITGA2B
SCHEMBL6985138 0.81 ITGB3 (0.36) ITGB3ITGA2B
SCHEMBL6985587 0.77 ITGB3 (0.50) ITGB3ITGA2B
SCHEMBL9263887 0.73 ITGB3 (0.47) ITGB3ITGA2B
SCHEMBL9558537 0.72 ITGB3 (0.53) ITGB3ITGA2B
SCHEMBL9558865 0.70 ITGB3 (0.70) ITGB3ITGA2B
SCHEMBL9264956 0.69 ITGB3 (0.45) ITGB3ITGA2B
SCHEMBL6778110 0.69 ITGB3 (0.44) ITGB3ITGA2B
SCHEMBL7353569 0.68 ITGB3 (1.00) ITGB3ITGA2B
SCHEMBL7345140 0.68 ITGB3 (0.77) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0539343-B1 Substituted heterocyclic derivatives useful as platelet aggregation inhibitors MONSANTO CO (US) 2000-07-26 EP disclosed
EP-0539343-A1 Substituted heterocyclic derivatives useful as platelet aggregation inhibitors MONSANTO COMPANY (US) 1993-04-28 EP disclosed