SCHEMBL7545503

SCHEMBL7545503

CN1Cc2cc(NC(=O)[C@@H](N)Cc3ccccc3)ccc2CC(CC(=O)O)C1=O

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 3/20 0.47
ITGA2B P08514 3/20 0.47
ITGAV P06756 1/20 0.47
NAMPT P43490 4/20 0.44
ROCK2 O75116 3/20 0.43
ROCK1 Q13464 2/20 0.43
MMP2 P08253 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
AAK1 Q2M2I8 1/20 0.40
BACE1 P56817 2/20 0.39
LMNA P02545 1/20 0.39
BRD4 O60885 1/20 0.38
OPRM1 P35372 1/20 0.38
OPRD1 P41143 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
SCHEMBL7541901 0.81 ITGB3 (0.51) ITGB3ITGA2BITGAVROCK2
SCHEMBL7659474 0.80 ITGB3 (0.49) ITGB3ITGA2BITGAVNAMPTBRD4
SCHEMBL7545780 0.77 ITGB3 (0.59) ITGB3ITGA2BITGAVLMNA
SCHEMBL2571876 0.75 ROCK2 (0.48) NAMPTROCK2ROCK1HDAC8AAK1
SCHEMBL7441878 0.75 ITGB3 (0.53) ITGB3ITGA2BITGAV
SCHEMBL7333252 0.74 ITGB3 (0.52) ITGB3ITGA2BITGAV
SCHEMBL2786534 0.73 ITGB3 (0.52) ITGB3ITGA2BITGAVLMNAOPRM1
SCHEMBL2786598 0.73 ITGB3 (0.52) ITGB3ITGA2BITGAVLMNAOPRM1
SCHEMBL7335166 0.72 ITGB3 (0.49) ITGB3ITGA2BITGAVLMNA
SCHEMBL7543230 0.71 ITGB3 (0.46) ITGB3ITGA2BITGAVNAMPTHDAC8

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0762882-A4 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2002-09-11 EP claimed
EP-0762882-A1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1997-03-19 EP claimed
WO-1996000574-A1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1996-01-11 WO claimed
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