SCHEMBL6678145

SCHEMBL6678145

NN=Cc1ccc(NC(=O)N2c3ccccc3CN(CCc3ccccc3)C(=O)C2CC(=O)O)cc1

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 11/20 0.43
ITGA2B P08514 11/20 0.43
ITGAV P06756 2/20 0.42
NAMPT P43490 7/20 0.41
PARP1 P09874 1/20 0.38
PARP2 Q9UGN5 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
SCHEMBL7403508 0.91 ITGB3 (0.43) ITGB3ITGA2BITGAVNAMPTPARP1
SCHEMBL8399640 0.84 ITGB3 (0.45) ITGB3ITGA2BITGAVPARP1PARP2
SCHEMBL8193004 0.82 ITGB3 (0.46) ITGB3ITGA2BITGAVNAMPTPARP1
SCHEMBL7595704 0.80 ITGB3 (0.54) ITGB3ITGA2BITGAV
SCHEMBL7400352 0.79 NAMPT (0.55) ITGB3ITGA2BITGAVNAMPT
SCHEMBL7397343 0.79 ITGB3 (0.43) ITGB3ITGA2BITGAVNAMPT
SCHEMBL7338319 0.79 PARP1 (0.44) ITGB3ITGA2BITGAVPARP1PARP2
SCHEMBL7399604 0.79 ITGB3 (0.52) ITGB3ITGA2BITGAV
SCHEMBL7398504 0.78 ITGB3 (0.46) ITGB3ITGA2BITGAVPARP1PARP2
SCHEMBL7441028 0.77 ITGB3 (0.45) ITGB3ITGA2BITGAVPARP1PARP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0593603-B1 BICYCLIC FIBRINOGEN ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2002-11-20 EP claimed
EP-0593603-A1 BICYCLIC FIBRINOGEN ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1994-04-27 EP claimed
WO-1993000095-A2 BICYCLIC FIBRINOGEN ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1993-01-07 WO claimed
WO-1995018619-A9 BICYCLIC FIBRINOGEN ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2004-10-21 WO disclosed
EP-0593603-B1 BICYCLIC FIBRINOGEN ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2002-11-20 EP disclosed
US-6127359-A Bicyclic fibrinogen antagonists SMITHKLINE BEECHAM CORPORATION (US) 2000-10-03 US disclosed
US-6117866-A Bicyclic fibrinogen antagonists SMITHKLINE BEECHAM CORPORATION (US) 2000-09-12 US disclosed
EP-0738150-A4 BICYCLIC FIBRINOGEN ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 1997-03-19 EP disclosed
EP-0738150-A1 BICYCLIC FIBRINOGEN ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1996-10-23 EP disclosed
WO-1995018619-A1 BICYCLIC FIBRINOGEN ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1995-07-13 WO disclosed
EP-0593603-A1 BICYCLIC FIBRINOGEN ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1994-04-27 EP disclosed
WO-1993000095-A2 BICYCLIC FIBRINOGEN ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1993-01-07 WO disclosed