SCHEMBL7367441

SCHEMBL7367441

CN1Cc2cc(C(=O)N3CCc4c([nH]c5ccccc45)C3)ccc2NC(CC(=O)O)C1=O

nearest known ligand 0.64

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 19/20 0.64
ITGAV P06756 16/20 0.64
ITGA2B P08514 8/20 0.60

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
SCHEMBL7541762 0.79 ITGB3 (1.00) ITGB3ITGAVITGA2B
SCHEMBL7368808 0.78 ITGB3 (0.57) ITGB3ITGAVITGA2B
SCHEMBL7499918 0.78 ITGB3 (0.85) ITGB3ITGAVITGA2B
SCHEMBL7497274 0.78 ITGB3 (0.78) ITGB3ITGAVITGA2B
SCHEMBL7368068 0.77 CDK4 (0.51)
SCHEMBL5972553 0.75 ITGB3 (0.68) ITGB3ITGAVITGA2B
SCHEMBL6677335 0.75 ITGB3 (0.68) ITGB3ITGAVITGA2B
SCHEMBL6677340 0.75 ITGB3 (0.68) ITGB3ITGAVITGA2B
Lotrafiban SCHEMBL29596 0.75 ITGB3 (1.00) ITGB3ITGAVITGA2B
Lotrafiban SCHEMBL6673128 0.75 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 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 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-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