SCHEMBL7361297

SCHEMBL7361297

CN(Cc1ccc2c(c1)CN(C)C(=O)C(CC(=O)O)N2C)Cc1nc2ccccc2[nH]1

nearest known ligand 0.54

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 19/20 0.54
ITGAV P06756 19/20 0.54
ITGA2B P08514 3/20 0.54
TDP1 Q9NUW8 1/20 0.48

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
SCHEMBL7360585 0.81 ITGB3 (0.72) ITGB3ITGAVITGA2B
SCHEMBL7672674 0.77 ITGB3 (0.57) ITGB3ITGAVITGA2B
SCHEMBL7664124 0.75 ITGB3 (0.42) ITGB3ITGAVITGA2B
SCHEMBL8330616 0.75 ITGB3 (0.46) ITGB3ITGAVITGA2B
SCHEMBL7668760 0.74 ITGB3 (0.41) ITGB3ITGAVITGA2B
SCHEMBL7077881 0.71 ITGB3 (0.73) ITGB3ITGAVITGA2B
SCHEMBL8525562 0.71 ITGB3 (0.39) ITGB3ITGAVITGA2BTDP1
SCHEMBL7910284 0.71 ITGB3 (0.39) ITGB3ITGAVITGA2BTDP1
SCHEMBL6947553 0.71 ITGB3 (0.77) ITGB3ITGAVITGA2B
SCHEMBL8467842 0.71 ITGB3 (0.72) 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