SCHEMBL7544674

SCHEMBL7544674

CC(=O)N1c2ccc(C(=O)O)cc2CN(C)C(=O)C1CC(=O)O

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 19/20 0.39
ITGA2B P08514 13/20 0.39
ITGAV P06756 15/20 0.39
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38

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
SCHEMBL7798122 0.91 HSD17B3 (0.39) ITGB3ITGA2BITGAVMAPTHPGD
SCHEMBL5155939 0.87 ITGB3 (0.41) ITGB3ITGA2BITGAVMAPTHPGD
SCHEMBL7366878 0.85 ITGB3 (0.38) ITGB3ITGA2BITGAVMAPTHPGD
SCHEMBL7542838 0.79 ITGB3 (0.66) ITGB3ITGA2BITGAV
SCHEMBL6840064 0.74 ITGB3 (0.36) ITGB3ITGA2BITGAVMAPTHPGD
SCHEMBL7485250 0.74 ITGB3 (0.38) ITGB3ITGA2BMAPTHPGD
SCHEMBL6676170 0.73 ITGB3 (0.56) ITGB3ITGA2BITGAV
SCHEMBL6948601 0.73 ITGB3 (0.61) ITGB3ITGA2BITGAV
SCHEMBL6676168 0.73 ITGB3 (0.56) ITGB3ITGA2BITGAV
SCHEMBL6948600 0.73 ITGB3 (0.61) ITGB3ITGA2BITGAV

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