SCHEMBL7399894

SCHEMBL7399894

NCc1cccc(CNC(=O)N2c3ccccc3CN(CCc3ccccc3)C(=O)C2CC(=O)O)c1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 1/20 0.41
ITGA5 P08648 1/20 0.41
CACNA1G O43497 2/20 0.40
CACNA1H O95180 2/20 0.40
CACNA1I Q9P0X4 2/20 0.40
HRH3 Q9Y5N1 1/20 0.40
ITGB3 P05106 12/20 0.39
ITGA2B P08514 11/20 0.39
ITGAV P06756 3/20 0.39
PARP1 P09874 1/20 0.39
PARP2 Q9UGN5 1/20 0.39
MTNR1A P48039 1/20 0.37
MTNR1B P49286 1/20 0.37
TPSAB1 Q15661 1/20 0.37
TPSD1 Q9BZJ3 1/20 0.37
TPSG1 Q9NRR2 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
SCHEMBL8193004 0.88 ITGB3 (0.46) ITGB1ITGA5ITGB3ITGA2BITGAV
SCHEMBL7441028 0.88 ITGB3 (0.45) ITGB1ITGA5CACNA1GCACNA1HCACNA1I
SCHEMBL8401242 0.84 ITGB3 (0.51) ITGB3ITGA2BITGAV
SCHEMBL7338319 0.81 PARP1 (0.44) ITGB3ITGA2BITGAVPARP1PARP2
SCHEMBL7403508 0.77 ITGB3 (0.43) ITGB3ITGA2BITGAVPARP1PARP2
SCHEMBL7398504 0.77 ITGB3 (0.46) ITGB1ITGB3ITGA2BITGAVPARP1
SCHEMBL7400352 0.76 NAMPT (0.55) ITGB1ITGA5CACNA1GCACNA1HCACNA1I
SCHEMBL7442287 0.76 ITGB3 (0.45) ITGB3ITGA2BITGAVPARP1PARP2
SCHEMBL6678145 0.75 ITGB3 (0.43) ITGB3ITGA2BITGAVPARP1PARP2
SCHEMBL7440517 0.73 ITGB3 (0.67) ITGB3ITGA2BITGAV

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0593603-A1 BICYCLIC FIBRINOGEN ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1994-04-27 EP claimed
WO-1993000095-A2 BICYCLIC FIBRINOGEN ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1993-01-07 WO claimed
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