SCHEMBL7440715

SCHEMBL7440715

NN=Cc1ccc(NC(=O)c2ccc3c(c2)NC(CC(=O)O)CCC3)cc1

nearest known ligand 0.73

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 15/20 0.73
ITGA2B P08514 15/20 0.73
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
ITGAV P06756 1/20 0.36
CNR1 P21554 1/20 0.35
CNR2 P34972 1/20 0.35
TP53 P04637 1/20 0.35
GAA P10253 1/20 0.35
NFKB1 P19838 1/20 0.35
HTT P42858 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35
SMN1; SMN2 Q16637 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
SCHEMBL7393434 0.94 ITGB3 (0.65) ITGB3ITGA2BNPC1RAB9ATP53
SCHEMBL7399438 0.84 ITGB3 (1.00) ITGB3ITGA2BITGAV
SCHEMBL8233920 0.84 ITGB3 (1.00) ITGB3ITGA2BITGAV
SCHEMBL7440690 0.84 ITGB3 (1.00) ITGB3ITGA2BITGAV
SCHEMBL7393420 0.79 ITGB3 (0.89) ITGB3ITGA2B
SCHEMBL7393424 0.79 ITGB3 (0.89) ITGB3ITGA2B
SCHEMBL7437422 0.78 ITGB3 (0.77) ITGB3ITGA2BITGAV
SCHEMBL7593932 0.77 ITGB3 (0.52) ITGB3ITGA2BMEN1KMT2ANPC1
SCHEMBL7593928 0.77 ITGB3 (0.52) ITGB3ITGA2BMEN1KMT2ANPC1
SCHEMBL7503387 0.75 ITGB3 (0.50) ITGB3ITGA2B

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