SCHEMBL7401634

SCHEMBL7401634

CC(C)(C)OC(=O)CCN1Cc2cc(NC(=O)c3ccc(C(=N)NC(=O)OCc4ccccc4)cc3)ccc2NCC1=O

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 9/20 0.56
ITGA2B P08514 9/20 0.56
ITGAV P06756 2/20 0.37
FLT1 P17948 1/20 0.37
KDR P35968 1/20 0.37
FLT3 P36888 1/20 0.37
KDM1A O60341 3/20 0.36
RCOR1 Q9UKL0 3/20 0.36
MAOA P21397 2/20 0.36
KDM1B Q8NB78 2/20 0.36
BRD4 O60885 1/20 0.35
MMP8 P22894 1/20 0.35
ACHE P22303 1/20 0.35

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
SCHEMBL7401120 0.87 ITGB3 (0.58) ITGB3ITGA2BITGAVFLT1KDR
SCHEMBL7401638 0.86 ITGB3 (0.50) ITGB3ITGA2BITGAVFLT1KDR
SCHEMBL7401636 0.85 ITGB3 (0.56) ITGB3ITGA2BITGAVFLT1KDR
SCHEMBL7398290 0.76 ITGB3 (0.54) ITGB3ITGA2BITGAVFLT1KDR
SCHEMBL7401125 0.73 ITGB3 (0.51) ITGB3ITGA2BFLT1KDRFLT3
SCHEMBL7396971 0.73 ITGB3 (1.00) ITGB3ITGA2BITGAV
SCHEMBL7401121 0.72 ITGB3 (0.57) ITGB3ITGA2BITGAVFLT1KDR
SCHEMBL7433066 0.71 ITGB3 (0.75) ITGB3ITGA2BITGAV
SCHEMBL7433059 0.71 ITGB3 (0.75) ITGB3ITGA2BITGAV
SCHEMBL7398371 0.70 ITGB3 (0.48) ITGB3ITGA2BITGAVKDM1ARCOR1

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