SCHEMBL7400579

SCHEMBL7400579

O=C1CC2C(=O)N(CCc3ccccc3)Cc3cc(NC(=O)c4ccc(C=NNC(=O)OCc5ccccc5)cc4)ccc3C2O1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 6/20 0.43
ITGA2B P08514 6/20 0.43
MIF P14174 1/20 0.42
ITGAV P06756 2/20 0.40
KDM1A O60341 6/20 0.38
RCOR1 Q9UKL0 6/20 0.38
MAOA P21397 5/20 0.37
KDM1B Q8NB78 5/20 0.37
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
MAPT P10636 1/20 0.36
RAB9A P51151 1/20 0.36
MAOB P27338 2/20 0.35
KDM4E B2RXH2 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
CTSL P07711 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
SCHEMBL7400582 1.00 ITGB3 (0.43) ITGB3ITGA2BMIFITGAVKDM1A
SCHEMBL7400576 0.86 ITGB3 (0.43) ITGB3ITGA2BITGAVKMT2AMAPT
SCHEMBL7400574 0.84 ITGB3 (0.46) ITGB3ITGA2BITGAVKDM1ARCOR1
SCHEMBL7433070 0.81 ITGB3 (0.68) ITGB3ITGA2BMIFITGAV
SCHEMBL7396918 0.78 ITGB3 (0.68) ITGB3ITGA2BMIFITGAV
SCHEMBL7401123 0.74 MIF (0.46) ITGB3ITGA2BMIFKDM1ARCOR1
SCHEMBL6675234 0.72 ITGB3 (0.48) ITGB3ITGA2BMIFITGAV
SCHEMBL7401125 0.71 ITGB3 (0.51) ITGB3ITGA2BMIFCA1CA2
SCHEMBL7401638 0.71 ITGB3 (0.50) ITGB3ITGA2BMIFITGAVKDM1A
SCHEMBL7402544 0.71 ITGB3 (0.46) 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