SCHEMBL7594020

SCHEMBL7594020

NCc1cccc(CNC(=O)c2ccc3c(c2)CN(CCc2ccccc2)C(=O)C(CC(=O)O)N3)c1

nearest known ligand 0.69

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 20/20 0.69
ITGAV P06756 12/20 0.69
ITGA2B P08514 13/20 0.67

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
SCHEMBL7399891 1.00 ITGB3 (0.69) ITGB3ITGAVITGA2B
SCHEMBL7440510 0.94 ITGB3 (0.67) ITGB3ITGAVITGA2B
SCHEMBL7440517 0.94 ITGB3 (0.67) ITGB3ITGAVITGA2B
SCHEMBL7437125 0.90 ITGB3 (0.68) ITGB3ITGAVITGA2B
SCHEMBL7437143 0.90 ITGB3 (0.68) ITGB3ITGAVITGA2B
SCHEMBL7441019 0.83 ITGB3 (0.68) ITGB3ITGAVITGA2B
SCHEMBL7329363 0.83 ITGB3 (0.76) ITGB3ITGAVITGA2B
SCHEMBL6674674 0.83 ITGB3 (0.71) ITGB3ITGAVITGA2B
SCHEMBL7079853 0.83 ITGB3 (0.71) ITGB3ITGAVITGA2B
SCHEMBL6674672 0.83 ITGB3 (0.71) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0593603-B1 BICYCLIC FIBRINOGEN ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2002-11-20 EP claimed
EP-0593603-B1 BICYCLIC FIBRINOGEN ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2002-11-20 EP disclosed