SCHEMBL7435527

SCHEMBL7435527

CC1(CC(=O)O)Nc2ccc(C(=O)CNCc3nc4cc(F)c(F)cc4[nH]3)cc2CNC1=O

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 18/20 0.42
ITGAV P06756 18/20 0.42
ITGA2B P08514 2/20 0.36
F10 P00742 1/20 0.33
CYP1A2 P05177 1/20 0.32
TSHR P16473 1/20 0.32

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
SCHEMBL8513153 0.74 ITGB3 (0.74) ITGB3ITGAVITGA2B
SCHEMBL6946801 0.63 ITGB3 (0.75) ITGB3ITGAVITGA2B
SCHEMBL8516786 0.63 ITGB3 (0.75) ITGB3ITGAVITGA2B
SCHEMBL8516789 0.62 ITGB3 (0.43) ITGB3ITGAVITGA2B
SCHEMBL6946793 0.62 ITGB3 (0.60) ITGB3ITGAVITGA2B
SCHEMBL7442328 0.61 ITGB3 (0.55) ITGB3ITGAVITGA2BTSHR
SCHEMBL8329426 0.59 ITGB3 (1.00) ITGB3ITGAVITGA2B
SCHEMBL7407472 0.59 EGLN1 (0.48) F10CYP1A2
SCHEMBL22395393 0.59 CACNA1H (0.43) F10CYP1A2
SCHEMBL8325831 0.58 PKM (0.54) F10CYP1A2

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 6 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 claimed
EP-0767792-A1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1997-04-16 EP claimed
WO-1996000730-A1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1996-01-11 WO claimed
EP-0767792-A4 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2002-11-20 EP 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