SCHEMBL7400352

SCHEMBL7400352

CC(C)(C)OC(=O)NCc1ccc(NC(=O)N2c3ccccc3CN(CCc3ccccc3)C(=O)C2CC(=O)O)cc1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 5/20 0.55
DRD2 P14416 1/20 0.47
CCKBR P32239 1/20 0.41
ITGB3 P05106 6/20 0.39
ITGA2B P08514 5/20 0.39
ITGAV P06756 2/20 0.39
CACNA1G O43497 1/20 0.39
CACNA1H O95180 1/20 0.39
CACNA1I Q9P0X4 1/20 0.39
NPY1R P25929 1/20 0.38
MTNR1A P48039 1/20 0.37
MTNR1B P49286 1/20 0.37
TP53 P04637 1/20 0.37
ITGB1 P05556 1/20 0.37
ITGA5 P08648 1/20 0.37
HDAC1 Q13547 1/20 0.37

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
SCHEMBL7432285 0.81 ITGB3 (0.48) NAMPTDRD2CCKBRITGB3ITGA2B
SCHEMBL7432277 0.81 ITGB3 (0.48) NAMPTDRD2CCKBRITGB3ITGA2B
SCHEMBL7441028 0.81 ITGB3 (0.45) ITGB3ITGA2BITGAVCACNA1GCACNA1H
SCHEMBL7394047 0.80 NAMPT (0.49) NAMPTDRD2CCKBRITGB3ITGA2B
SCHEMBL6678145 0.79 ITGB3 (0.43) NAMPTITGB3ITGA2BITGAV
SCHEMBL8401242 0.78 ITGB3 (0.51) ITGB3ITGA2BITGAV
SCHEMBL8193004 0.78 ITGB3 (0.46) NAMPTCCKBRITGB3ITGA2BITGAV
SCHEMBL7595444 0.77 ITGB3 (0.70) NAMPTITGB3ITGA2BITGAV
SCHEMBL7595440 0.77 ITGB3 (0.70) NAMPTITGB3ITGA2BITGAV
SCHEMBL7338319 0.76 PARP1 (0.44) ITGB3ITGA2BITGAVMTNR1AMTNR1B

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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