SCHEMBL7072907

SCHEMBL7072907

CCCCN(Cc1nc2ccccc2[nH]1)C(=O)c1ccc2c(c1)CN(C)C(=O)[C@H](CC(=O)OC)N2

nearest known ligand 0.85

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 18/20 0.85
ITGAV P06756 18/20 0.85
ITGA2B P08514 3/20 0.66

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
SCHEMBL6944353 0.92 ITGB3 (1.00) ITGB3ITGAVITGA2B
SCHEMBL5165662 0.85 ITGB3 (0.86) ITGB3ITGAVITGA2B
SCHEMBL8325096 0.85 ITGB3 (1.00) ITGB3ITGAVITGA2B
SCHEMBL7918275 0.85 ITGB3 (0.92) ITGB3ITGAVITGA2B
SCHEMBL7358918 0.84 ITGB3 (0.85) ITGB3ITGAVITGA2B
SCHEMBL5972719 0.84 ITGB3 (0.85) ITGB3ITGAVITGA2B
SCHEMBL6130318 0.84 ITGB3 (0.84) ITGB3ITGAVITGA2B
SCHEMBL7077079 0.83 ITGB3 (1.00) ITGB3ITGAVITGA2B
SCHEMBL7509393 0.83 ITGB3 (0.85) ITGB3ITGAVITGA2B
SCHEMBL7510058 0.82 ITGB3 (0.81) 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0946180-A4 METHOD FOR STIMULATING BONE FORMATION SMITHKLINE BEECHAM CORP (US) 2003-07-23 EP disclosed
EP-0767792-A4 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2002-11-20 EP disclosed
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
EP-0946180-A1 METHOD FOR STIMULATING BONE FORMATION SMITHKLINE BEECHAM CORPORATION (US) 1999-10-06 EP disclosed
WO-1998015278-A1 METHOD FOR STIMULATING BONE FORMATION SMITHKLINE BEECHAM CORPORATION (US) 1998-04-16 WO disclosed
EP-0767792-A1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1997-04-16 EP disclosed
WO-1996000730-A1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1996-01-11 WO disclosed