SCHEMBL7360585

SCHEMBL7360585

CN1Cc2cc(C(=O)NCc3nc4ccccc4[nH]3)ccc2N(C)C(CC(=O)O)C1=O

nearest known ligand 0.72

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 19/20 0.72
ITGAV P06756 19/20 0.72
ITGA2B P08514 4/20 0.72
TSHR P16473 1/20 0.50
MAPK10 P53779 1/20 0.50

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
SCHEMBL7672674 0.86 ITGB3 (0.57) ITGB3ITGAVITGA2B
SCHEMBL6951803 0.84 ITGB3 (0.73) ITGB3ITGAVITGA2BTSHRMAPK10
SCHEMBL6947538 0.84 ITGB3 (1.00) ITGB3ITGAVITGA2B
SCHEMBL6941347 0.84 ITGB3 (1.00) ITGB3ITGAVITGA2B
SCHEMBL7333365 0.84 ITGB3 (1.00) ITGB3ITGAVITGA2B
SCHEMBL7340046 0.83 ITGB3 (0.89) ITGB3ITGAVITGA2B
SCHEMBL7361297 0.81 ITGB3 (0.54) ITGB3ITGAVITGA2B
SCHEMBL7442340 0.79 ITGB3 (0.59) ITGB3ITGAVITGA2BTSHRMAPK10
SCHEMBL8467478 0.79 ITGB3 (0.85) ITGB3ITGAVITGA2B
SCHEMBL7363355 0.78 ITGB3 (0.76) 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