SCHEMBL7400533

SCHEMBL7400533

CC(C)(C)OC(=O)NCc1cccc(NC(=O)N2c3ccccc3C(=O)N(CCc3ccccc3)CC2CC(=O)O)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 1/20 0.49
PDCD1 Q15116 1/20 0.40
CD274 Q9NZQ7 1/20 0.40
NAMPT P43490 2/20 0.40
BRD4 O60885 3/20 0.40
CREBBP Q92793 1/20 0.40
NPY1R P25929 1/20 0.39
ITGB3 P05106 2/20 0.38
ITGA2B P08514 2/20 0.38
ITGB1 P05556 1/20 0.38
ITGA5 P08648 1/20 0.38
GLS O94925 1/20 0.36
MTNR1A P48039 1/20 0.36
MTNR1B P49286 1/20 0.36
ALDH1A1 P00352 1/20 0.36
TSHR P16473 1/20 0.36
CACNA1G O43497 1/20 0.36
CACNA1H O95180 1/20 0.36
CACNA1I Q9P0X4 1/20 0.36
RORC P51449 1/20 0.36

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
SCHEMBL7394047 0.92 NAMPT (0.49) CCKBRPDCD1CD274NAMPTITGB3
SCHEMBL7397295 0.82 RAB9A (0.39) CCKBRNAMPTITGB3ITGA2BITGB1
SCHEMBL8195620 0.80 ITGB3 (0.49) CCKBRNAMPTITGB3ITGA2BITGB1
SCHEMBL7600109 0.77 ITGB3 (0.65) CCKBRNAMPTBRD4CREBBPITGB3
SCHEMBL7600102 0.77 ITGB3 (0.65) CCKBRNAMPTBRD4CREBBPITGB3
SCHEMBL7397343 0.75 ITGB3 (0.43) NAMPTITGB3ITGA2BITGB1ITGA5
SCHEMBL7400352 0.72 NAMPT (0.55) CCKBRNAMPTNPY1RITGB3ITGA2B
SCHEMBL7391455 0.71 ITGB3 (0.42) BRD4ITGB3ITGA2BALDH1A1TSHR
SCHEMBL8519376 0.71 CCKBR (0.39) CCKBRPDCD1CD274NAMPTBRD4
SCHEMBL7595536 0.71 ITGB3 (0.70) NAMPTITGB3ITGA2BALDH1A1

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