SCHEMBL7398290

SCHEMBL7398290

CC1Nc2ccc(NC(=O)c3ccc(C(=N)NC(=O)OCc4ccccc4)cc3)cc2CN(CCc2ccccc2)C1=O

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 16/20 0.54
ITGA2B P08514 15/20 0.54
ITGAV P06756 3/20 0.54
FLT1 P17948 1/20 0.39
KDR P35968 1/20 0.39
FLT3 P36888 1/20 0.39
BRD4 O60885 1/20 0.39
KDM1A O60341 1/20 0.39
RCOR1 Q9UKL0 1/20 0.39
HDAC1 Q13547 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 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
SCHEMBL7396677 0.86 ITGB3 (0.71) ITGB3ITGA2BITGAV
SCHEMBL7433066 0.84 ITGB3 (0.75) ITGB3ITGA2BITGAV
SCHEMBL7433059 0.84 ITGB3 (0.75) ITGB3ITGA2BITGAV
SCHEMBL7398292 0.84 ITGB3 (0.52) ITGB3ITGA2BITGAVBRD4HDAC1
SCHEMBL7445083 0.84 ITGB3 (0.48) ITGB3ITGA2BITGAV
SCHEMBL7398371 0.82 ITGB3 (0.48) ITGB3ITGA2BITGAVKDM1ARCOR1
SCHEMBL7396914 0.81 ITGB3 (0.75) ITGB3ITGA2BITGAV
SCHEMBL7396908 0.81 ITGB3 (0.75) ITGB3ITGA2BITGAV
SCHEMBL7396683 0.80 ITGB3 (0.55) ITGB3ITGA2BITGAVBRD4HDAC1
SCHEMBL7401120 0.78 ITGB3 (0.58) ITGB3ITGA2BITGAVFLT1KDR

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
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
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