SCHEMBL6654063

SCHEMBL6654063

CC(C)(C)OC(=O)c1ccc(F)c(C#N)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.48
GABRA1 P14867 1/20 0.44
GABRG2 P18507 1/20 0.44
GABRB3 P28472 1/20 0.44
GABRA3 P34903 1/20 0.44
GABRA2 P47869 1/20 0.44
GPR119 Q8TDV5 2/20 0.40
VNN1 O95497 1/20 0.39
CNR2 P34972 1/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
CA14 Q9ULX7 1/20 0.39
NR3C2 P08235 2/20 0.39
PLA2G7 Q13093 1/20 0.38
SRD5A1 P18405 1/20 0.38
SLC7A5 Q01650 1/20 0.37
CES2 O00748 1/20 0.37
CES1 P23141 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
SCHEMBL29057756 0.83 GABRA1 (0.45) TRPA1GABRA1GABRG2GABRB3GABRA3
SCHEMBL14012579 0.83 CA1 (0.47) VNN1CNR2CA12CA1CA2
SCHEMBL366584 0.83 CA1 (0.47) VNN1CNR2CA12CA1CA2
SCHEMBL30961881 0.83 CA1 (0.47) VNN1CNR2CA12CA1CA2
SCHEMBL3616560 0.81 TRPA1 (0.51) TRPA1GPR119VNN1GRM4
SCHEMBL30208191 0.80 CES2 (0.53) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL4208340 0.80 CES2 (0.53) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL5342060 0.79 ALOX15 (0.47) TRPA1GABRA1GABRG2GABRB3GABRA3
SCHEMBL4024106 0.78 HTR7 (0.46) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL3744003 0.78 CA9 (0.46) GABRA1GABRG2GABRB3GABRA3GABRA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1995018619-A9 BICYCLIC FIBRINOGEN ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2004-10-21 WO disclosed
CN-1117569-C Bicyclic fibrinogen antagonists SMITHKLINE BEECHAM CORP (US) 2003-08-13 CN disclosed
EP-0738150-B1 BICYCLIC FIBRINOGEN ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2003-05-02 EP disclosed
US-6117866-A Bicyclic fibrinogen antagonists SMITHKLINE BEECHAM CORPORATION (US) 2000-09-12 US disclosed
EP-0738150-A4 BICYCLIC FIBRINOGEN ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 1997-03-19 EP disclosed
CN-1143323-A Bicyclic fibrinogen antagonists SMITHKLINE BEECHAM CORP (US) 1997-02-19 CN disclosed
EP-0738150-A1 BICYCLIC FIBRINOGEN ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1996-10-23 EP disclosed
WO-1995018619-A1 BICYCLIC FIBRINOGEN ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1995-07-13 WO disclosed