SCHEMBL7397295

SCHEMBL7397295

CC(C)(C)OC(=O)NN=Cc1ccc(NC(=O)N2c3ccccc3C(=O)N(CCc3ccccc3)CC2CC(=O)O)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.39
NPC1 O15118 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
RECQL P46063 1/20 0.39
MAPT P10636 4/20 0.39
KDM4E B2RXH2 3/20 0.39
MIF P14174 1/20 0.38
KMT2A Q03164 3/20 0.37
ALDH1A1 P00352 2/20 0.37
LMNA P02545 1/20 0.37
ITGB3 P05106 3/20 0.36
ITGA2B P08514 2/20 0.36
DRD2 P14416 1/20 0.36
SCN9A Q15858 1/20 0.35
NAMPT P43490 2/20 0.35
CACNA1G O43497 1/20 0.34
CACNA1H O95180 1/20 0.34
CACNA1I Q9P0X4 1/20 0.34
CCKBR P32239 1/20 0.34
ITGB2 P05107 1/20 0.34

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 0.87 NAMPT (0.49) KMT2AITGB3ITGA2BDRD2SCN9A
SCHEMBL7397343 0.86 ITGB3 (0.43) SMN1; SMN2KMT2AITGB3ITGA2BNAMPT
SCHEMBL7400533 0.82 CCKBR (0.49) ALDH1A1ITGB3ITGA2BSCN9ANAMPT
SCHEMBL8195620 0.79 ITGB3 (0.49) SMN1; SMN2ITGB3ITGA2BNAMPTCACNA1G
SCHEMBL8518520 0.73 MAPT (0.39) RAB9ANPC1SMN1; SMN2RECQLMAPT
SCHEMBL7669121 0.70 ITGB3 (0.65) RAB9ANPC1SMN1; SMN2RECQLMAPT
SCHEMBL7401018 0.69 ITGB3 (0.43) MAPTKDM4EKMT2AALDH1A1LMNA
SCHEMBL7391455 0.68 ITGB3 (0.42) RAB9ANPC1SMN1; SMN2MAPTALDH1A1
SCHEMBL8518521 0.68 RAB9A (0.41) RAB9ANPC1SMN1; SMN2RECQLMAPT
SCHEMBL7596417 0.67 ITGB3 (0.52) SMN1; SMN2KMT2AALDH1A1LMNAITGB3

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