SCHEMBL8468848

SCHEMBL8468848

CN1Cc2cc(C(=O)NCc3nc4ccccc4n3CCO)ccc2NC(CC(=O)O)C1=O

nearest known ligand 0.70

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 20/20 0.70
ITGAV P06756 20/20 0.70
ITGA2B P08514 12/20 0.70

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
SCHEMBL8468835 1.00 ITGB3 (0.70) ITGB3ITGAVITGA2B
SCHEMBL7074854 0.92 ITGB3 (0.68) ITGB3ITGAVITGA2B
SCHEMBL8469034 0.90 ITGB3 (0.66) ITGB3ITGAVITGA2B
SCHEMBL8466198 0.88 ITGB3 (0.82) ITGB3ITGAVITGA2B
SCHEMBL8465948 0.88 ITGB3 (0.82) ITGB3ITGAVITGA2B
SCHEMBL7333365 0.83 ITGB3 (1.00) ITGB3ITGAVITGA2B
SCHEMBL6947538 0.83 ITGB3 (1.00) ITGB3ITGAVITGA2B
SCHEMBL6941347 0.83 ITGB3 (1.00) ITGB3ITGAVITGA2B
SCHEMBL7539104 0.81 ITGB3 (0.71) ITGB3ITGAVITGA2B
SCHEMBL6950188 0.79 ITGB3 (0.64) 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 6 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 claimed
EP-0869787-A1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1998-10-14 EP claimed
WO-1997024119-A1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1997-07-10 WO claimed
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