SCHEMBL7445367

SCHEMBL7445367

N#Cc1ccc(CNC(=O)c2ccc3c(c2)CC(CC(=O)O)C(=O)N(CCc2ccccc2)C3)cc1

nearest known ligand 0.54

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 17/20 0.54
ITGA2B P08514 15/20 0.54
ITGAV P06756 4/20 0.48
MAOA P21397 1/20 0.45
NAMPT P43490 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL7445376 1.00 ITGB3 (0.54) ITGB3ITGA2BITGAVMAOANAMPT
SCHEMBL7435590 0.89 ITGB3 (0.59) ITGB3ITGA2BITGAVNAMPT
SCHEMBL7435601 0.89 ITGB3 (0.59) ITGB3ITGA2BITGAVNAMPT
SCHEMBL6677664 0.88 ITGB3 (0.70) ITGB3ITGA2BITGAV
SCHEMBL6677677 0.88 ITGB3 (0.70) ITGB3ITGA2BITGAV
SCHEMBL6677682 0.85 ITGB3 (0.54) ITGB3ITGA2BITGAV
SCHEMBL7434210 0.85 ITGB3 (0.68) ITGB3ITGA2BITGAV
SCHEMBL7434221 0.85 ITGB3 (0.68) ITGB3ITGA2BITGAV
SCHEMBL7445371 0.83 ITGB3 (0.78) ITGB3ITGA2BITGAV
SCHEMBL6675230 0.82 ITGB3 (0.54) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

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