SCHEMBL7495489

SCHEMBL7495489

CCCCCC(=O)N(CCCOc1ccc2c(c1)CN(Cc1ccc(C(F)(F)F)cc1)C(=O)C(CC(=O)O)C2)c1ccccn1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 10/20 0.51
ITGAV P06756 8/20 0.51
ITGA2B P08514 7/20 0.51
ITGB1 P05556 1/20 0.40
ITGB5 P18084 1/20 0.40
PPARD Q03181 3/20 0.38
PPARA Q07869 3/20 0.38
ALOX5 P09917 5/20 0.36
PTGES O14684 4/20 0.36
PSEN1 P49768 4/20 0.36
PPARG P37231 2/20 0.35
LTB4R2 Q9NPC1 1/20 0.34

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
SCHEMBL7495482 1.00 ITGB3 (0.51) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL7400162 0.92 ITGB3 (0.52) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL7400165 0.92 ITGB3 (0.52) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL6418447 0.91 ITGB3 (0.52) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL7403637 0.91 ITGB3 (0.51) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL6419322 0.90 ITGB3 (0.53) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL6419461 0.90 ITGB3 (0.53) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL6419031 0.89 ITGB3 (0.54) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL6419493 0.88 ITGB3 (0.56) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL7399463 0.88 ITGB3 (0.44) ITGB3ITGAVITGA2BITGB1ITGB5

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-0957917-A4 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2002-05-15 EP disclosed
EP-0957917-A1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1999-11-24 EP disclosed
WO-1998014192-A1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1998-04-09 WO disclosed