SCHEMBL6953549

SCHEMBL6953549

Nc1cc(CCCNC(=O)c2ccc3c(c2)CC(CC(=O)O)C(=O)N(CCc2ccccc2)C3)ccn1

nearest known ligand 0.53

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 15/20 0.53
ITGA2B P08514 14/20 0.53
NAMPT P43490 4/20 0.44
ITGAV P06756 3/20 0.43
ROCK2 O75116 1/20 0.41

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
SCHEMBL6945837 0.91 ITGB3 (0.55) ITGB3ITGA2BNAMPTITGAVROCK2
SCHEMBL6949490 0.86 ITGB3 (0.65) ITGB3ITGA2BITGAV
SCHEMBL6953547 0.83 ITGB3 (0.67) ITGB3ITGA2BITGAV
SCHEMBL6953539 0.81 ITGB3 (0.67) ITGB3ITGA2BITGAV
SCHEMBL8019056 0.81 ITGB3 (0.59) ITGB3ITGA2BITGAV
SCHEMBL6945108 0.80 ITGB3 (0.71) ITGB3ITGA2B
SCHEMBL7435601 0.79 ITGB3 (0.59) ITGB3ITGA2BNAMPTITGAV
SCHEMBL7435590 0.79 ITGB3 (0.59) ITGB3ITGA2BNAMPTITGAV
SCHEMBL6675207 0.78 ITGB3 (0.67) ITGB3ITGA2BITGAV
SCHEMBL6675212 0.78 ITGB3 (0.67) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0674623-B1 BICYCLIC FIBRINOGEN ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2003-04-09 EP claimed
EP-0674623-A1 BICYCLIC FIBRINOGEN ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1995-10-04 EP claimed
WO-1994014776-A2 BICYCLIC FIBRINOGEN ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1994-07-07 WO claimed
EP-0674623-B1 BICYCLIC FIBRINOGEN ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2003-04-09 EP disclosed
US-6403578-B1 ANTICOAGULANTS, CARDIOVASCULAR DISORDERS SMITHKLINE BEECHAM CORPORATION 2002-06-11 US disclosed