SCHEMBL8329524

SCHEMBL8329524

CN(Cc1nc2cccc([N+](=O)[O-])c2[nH]1)C(=O)c1ccc2c(c1)CN(C)C(=O)[C@H](CC(=O)O)N2

nearest known ligand 0.80

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 20/20 0.80
ITGAV P06756 20/20 0.80
ITGA2B P08514 3/20 0.76

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
SCHEMBL8328589 0.89 ITGB3 (0.80) ITGB3ITGAVITGA2B
SCHEMBL7365226 0.89 ITGB3 (0.80) ITGB3ITGAVITGA2B
SCHEMBL8329503 0.89 ITGB3 (1.00) ITGB3ITGAVITGA2B
SCHEMBL8323501 0.89 ITGB3 (0.80) ITGB3ITGAVITGA2B
SCHEMBL6946521 0.86 ITGB3 (1.00) ITGB3ITGAVITGA2B
SCHEMBL245523 0.86 ITGB3 (1.00) ITGB3ITGAVITGA2B
SCHEMBL8468350 0.82 ITGB3 (0.76) ITGB3ITGAVITGA2B
SCHEMBL8329426 0.82 ITGB3 (1.00) ITGB3ITGAVITGA2B
SCHEMBL7365250 0.81 ITGB3 (1.00) ITGB3ITGAVITGA2B
SCHEMBL8328583 0.81 ITGB3 (1.00) ITGB3ITGAVITGA2B

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0869787-A4 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 1999-03-24 EP claimed
EP-0869787-A1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1998-10-14 EP claimed
WO-1997024119-A1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1997-07-10 WO claimed
EP-0869787-A4 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 1999-03-24 EP disclosed
EP-0869787-A1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1998-10-14 EP disclosed
WO-1997024119-A1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1997-07-10 WO disclosed