SCHEMBL7367225

SCHEMBL7367225

COc1ccc(OC)c2[nH]c(CNCC(=O)c3ccc4c(c3)CN(C)C(=O)C(CC(=O)O)N4)nc12

nearest known ligand 0.76

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 20/20 0.76
ITGAV P06756 20/20 0.76
ITGA2B P08514 9/20 0.56

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
SCHEMBL8327713 0.86 ITGB3 (1.00) ITGB3ITGAVITGA2B
SCHEMBL8467211 0.81 ITGB3 (0.87) ITGB3ITGAVITGA2B
SCHEMBL8513153 0.80 ITGB3 (0.74) ITGB3ITGAVITGA2B
SCHEMBL7367219 0.79 ITGB3 (0.48) ITGB3ITGAVITGA2B
SCHEMBL6946801 0.78 ITGB3 (0.75) ITGB3ITGAVITGA2B
SCHEMBL8516786 0.77 ITGB3 (0.75) ITGB3ITGAVITGA2B
SCHEMBL6946793 0.76 ITGB3 (0.60) ITGB3ITGAVITGA2B
SCHEMBL7394632 0.76 ITGB3 (0.45) ITGB3ITGAVITGA2B
SCHEMBL6677335 0.74 ITGB3 (0.68) ITGB3ITGAVITGA2B
SCHEMBL6677340 0.74 ITGB3 (0.68) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0767792-A4 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2002-11-20 EP claimed
EP-0767792-A1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1997-04-16 EP claimed
WO-1996000730-A1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1996-01-11 WO claimed
US-5977101-A Benzimidazoles/Imidazoles Linked to a Fibrinogen Receptor Antagonist Template Having Vitronectin Receptor Antagonist Activity SMITHKLINE BEECHAM CORPORATION (US) 1999-11-02 US disclosed