SCHEMBL7400574

SCHEMBL7400574

NC(=NC(=O)OCc1ccccc1)c1ccc(C(=O)Nc2ccc3c(c2)CN(CCc2ccccc2)C(=O)[C@@H]2CC(=O)O[C@@H]32)cc1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 9/20 0.46
ITGA2B P08514 9/20 0.46
ITGAV P06756 2/20 0.43
KDM1A O60341 6/20 0.37
RCOR1 Q9UKL0 6/20 0.37
MAOA P21397 5/20 0.36
KDM1B Q8NB78 5/20 0.36
OPRM1 P35372 1/20 0.35
OPRD1 P41143 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
MAOB P27338 2/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
POLB P06746 1/20 0.35
HPGD P15428 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
SCHEMBL7400582 0.84 ITGB3 (0.43) ITGB3ITGA2BITGAVKDM1ARCOR1
SCHEMBL7400579 0.84 ITGB3 (0.43) ITGB3ITGA2BITGAVKDM1ARCOR1
SCHEMBL7400576 0.81 ITGB3 (0.43) ITGB3ITGA2BITGAVOPRM1OPRD1
SCHEMBL7400816 0.80 ITGB3 (0.51) ITGB3ITGA2BITGAVKDM1ARCOR1
SCHEMBL7433061 0.79 ITGB3 (0.74) ITGB3ITGA2BITGAV
SCHEMBL7396910 0.76 ITGB3 (0.74) ITGB3ITGA2BITGAV
SCHEMBL7396292 0.73 ALDH1A1 (0.39) ITGB3ITGA2BITGAVMAOAMAOB
SCHEMBL7396296 0.73 ALDH1A1 (0.39) ITGB3ITGA2BITGAVMAOAMAOB
SCHEMBL7396300 0.73 ALDH1A1 (0.39) ITGB3ITGA2BITGAVMAOAMAOB
SCHEMBL7401121 0.70 ITGB3 (0.57) 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