SCHEMBL7401018

SCHEMBL7401018

NN=Cc1ccc(C(=O)NN2c3ccccc3C(=O)N(CCc3ccccc3)CC2CC(=O)O)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 7/20 0.43
ITGA2B P08514 7/20 0.43
CACNA1G O43497 1/20 0.36
CACNA1H O95180 1/20 0.36
CACNA1I Q9P0X4 1/20 0.36
HDAC1 Q13547 2/20 0.35
HDAC6 Q9UBN7 2/20 0.35
HDAC8 Q9BY41 1/20 0.35
KDM4E B2RXH2 3/20 0.35
ALDH1A1 P00352 3/20 0.35
POLB P06746 2/20 0.35
PSMD14 O00487 1/20 0.35
LMNA P02545 1/20 0.35
HPGD P15428 1/20 0.35
MAPT P10636 2/20 0.35
TDP1 Q9NUW8 2/20 0.35
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33

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
SCHEMBL7397343 0.81 ITGB3 (0.43) ITGB3ITGA2BCACNA1GCACNA1HCACNA1I
SCHEMBL7596417 0.80 ITGB3 (0.52) ITGB3ITGA2BHDAC1HDAC6HDAC8
SCHEMBL7395503 0.75 ALDH1A1 (0.37) ITGB3ITGA2BCACNA1GCACNA1HCACNA1I
SCHEMBL7599956 0.73 ITGB3 (0.79) ITGB3ITGA2BHDAC1HDAC6HDAC8
SCHEMBL8401237 0.72 CACNA1G (0.35) ITGB3ITGA2BCACNA1GCACNA1HCACNA1I
SCHEMBL7593955 0.72 ITGB3 (0.79) ITGB3ITGA2BKDM4EMAPTCA1
SCHEMBL7397295 0.69 RAB9A (0.39) ITGB3ITGA2BCACNA1GCACNA1HCACNA1I
SCHEMBL8195620 0.69 ITGB3 (0.49) ITGB3ITGA2BCACNA1GCACNA1HCACNA1I
SCHEMBL7399604 0.68 ITGB3 (0.52) ITGB3ITGA2BHDAC1HDAC6HDAC8
SCHEMBL8402368 0.67 PARP1 (0.33) CACNA1GCACNA1HCACNA1IALDH1A1

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 6 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
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