SCHEMBL7400576

SCHEMBL7400576

O=CN(/N=C/c1ccc(C(=O)Nc2ccc3c(c2)CN(CCc2ccccc2)C(=O)C2CC(=O)OC32)cc1)OCc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 13/20 0.43
ITGA2B P08514 13/20 0.43
ITGAV P06756 2/20 0.39
NAMPT P43490 1/20 0.34
OPRM1 P35372 1/20 0.34
OPRD1 P41143 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
POLB P06746 1/20 0.33
HPGD P15428 1/20 0.33
USP2 O75604 1/20 0.32
MAPT P10636 1/20 0.32
MAPK1 P28482 1/20 0.32
KMT2A Q03164 1/20 0.32
ESR2 Q92731 1/20 0.32
TAAR1 Q96RJ0 1/20 0.32

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 0.86 ITGB3 (0.43) ITGB3ITGA2BITGAVMAPTKMT2A
SCHEMBL7400579 0.86 ITGB3 (0.43) ITGB3ITGA2BITGAVMAPTKMT2A
SCHEMBL7400574 0.81 ITGB3 (0.46) ITGB3ITGA2BITGAVOPRM1OPRD1
SCHEMBL7404826 0.71 ITGB3 (0.52) ITGB3ITGA2BITGAVHDAC1HDAC8
SCHEMBL7401590 0.70 ITGB3 (0.56) ITGB3ITGA2BITGAV
SCHEMBL7396292 0.69 ALDH1A1 (0.39) ITGB3ITGA2BITGAVSMN1; SMN2ALDH1A1
SCHEMBL7396300 0.69 ALDH1A1 (0.39) ITGB3ITGA2BITGAVSMN1; SMN2ALDH1A1
SCHEMBL7396296 0.69 ALDH1A1 (0.39) ITGB3ITGA2BITGAVSMN1; SMN2ALDH1A1
SCHEMBL7402544 0.69 ITGB3 (0.46) ITGB3ITGA2BITGAVHDAC1HDAC8
SCHEMBL7393661 0.68 ITGB3 (0.53) ITGB3ITGA2BITGAVHDAC1HDAC8

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