SCHEMBL7544147

SCHEMBL7544147

CN1Cc2cc(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)ccc2NC(CC(=O)O)C1=O

nearest known ligand 0.71

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 20/20 0.71
ITGAV P06756 16/20 0.71
ITGA2B P08514 14/20 0.69

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
SCHEMBL6676238 0.95 ITGB3 (0.78) ITGB3ITGAVITGA2B
SCHEMBL6958161 0.95 ITGB3 (0.78) ITGB3ITGAVITGA2B
SCHEMBL6958164 0.95 ITGB3 (0.78) ITGB3ITGAVITGA2B
SCHEMBL6676144 0.86 ITGB3 (0.60) ITGB3ITGAVITGA2B
SCHEMBL6676151 0.86 ITGB3 (0.60) ITGB3ITGAVITGA2B
SCHEMBL7499918 0.85 ITGB3 (0.85) ITGB3ITGAVITGA2B
SCHEMBL7541762 0.83 ITGB3 (1.00) ITGB3ITGAVITGA2B
SCHEMBL7497274 0.83 ITGB3 (0.78) ITGB3ITGAVITGA2B
SCHEMBL6690645 0.82 ITGB3 (0.79) ITGB3ITGAVITGA2B
Lotrafiban SCHEMBL6673128 0.81 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6458784-B1 PHARMACEUTICALLY ACTIVE BENZODIAZAPINE COMPOUNDS OF FORMULA (I) ARE DISCLOSED. THESE COMPOUNDS INHIBIT THE VITRONECTIN RECEPTOR AND ARE USEFUL FOR TREATMENT OF OSTEOPOROSIS. SMITHKLINE BEECHAM CORPORATION 2002-10-01 US disclosed
EP-0762882-A4 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2002-09-11 EP disclosed
EP-0762882-A1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1997-03-19 EP disclosed
WO-1996000574-A1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1996-01-11 WO disclosed