SCHEMBL8466538

SCHEMBL8466538

O=C(O)CC1Nc2ccc(C(=O)NCc3nc4ccccc4[nH]3)cc2CN(CC(F)(F)F)C1=O

nearest known ligand 0.84

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 20/20 0.84
ITGAV P06756 20/20 0.84
ITGA2B P08514 2/20 0.78

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
SCHEMBL8631790 0.92 ITGB3 (0.73) ITGB3ITGAVITGA2B
SCHEMBL8466696 0.89 ITGB3 (1.00) ITGB3ITGAVITGA2B
SCHEMBL6946659 0.89 ITGB3 (1.00) ITGB3ITGAVITGA2B
SCHEMBL8327959 0.88 ITGB3 (1.00) ITGB3ITGAVITGA2B
SCHEMBL6941347 0.87 ITGB3 (1.00) ITGB3ITGAVITGA2B
SCHEMBL6947538 0.87 ITGB3 (1.00) ITGB3ITGAVITGA2B
SCHEMBL7333365 0.87 ITGB3 (1.00) ITGB3ITGAVITGA2B
SCHEMBL8466678 0.86 ITGB3 (0.80) ITGB3ITGAVITGA2B
SCHEMBL8468615 0.85 ITGB3 (0.78) ITGB3ITGAVITGA2B
SCHEMBL6950690 0.85 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0869787-A4 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 1999-03-24 EP disclosed
EP-0869787-A1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1998-10-14 EP disclosed
WO-1997024119-A1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1997-07-10 WO disclosed