SCHEMBL2374492

SCHEMBL2374492

CC(C)COC(=O)N1CCc2c1ccc(B1OC(C)(C)C(C)(C)O1)c2F

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 6/20 0.37
SCN9A Q15858 1/20 0.33
SCN10A Q9Y5Y9 1/20 0.33
NR1H2 P55055 1/20 0.33
NR1H3 Q13133 1/20 0.33
P2RX4 Q99571 1/20 0.33
IDO1 P14902 3/20 0.33
PTGDR2 Q9Y5Y4 2/20 0.33
KCNH2 Q12809 1/20 0.33
NOTUM Q6P988 2/20 0.32
UCHL1 P09936 1/20 0.32
MEN1 O00255 1/20 0.31
HPGD P15428 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL29911627 0.82 GPR119 (0.44) GPR119NOTUMUCHL1MEN1KMT2A
SCHEMBL867519 0.82 GPR119 (0.44) GPR119NOTUMUCHL1MEN1KMT2A
SCHEMBL23042880 0.81 NOTUM (0.37) GPR119NOTUM
SCHEMBL2373630 0.78 GPR119 (0.43) GPR119SCN9ASCN10AP2RX4IDO1
SCHEMBL2374094 0.77 GPR119 (0.42) GPR119NOTUMMEN1KMT2A
SCHEMBL2373984 0.73 NOTUM (0.60) SCN9ASCN10AP2RX4PTGDR2NOTUM
SCHEMBL23042917 0.72 CYP3A4 (0.53)
SCHEMBL30120760 0.71 AKT1 (0.39) NOTUM
SCHEMBL24651169 0.71 AKT1 (0.39) NOTUM
SCHEMBL24344110 0.70 GPR119 (0.43) GPR119NOTUMUCHL1

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
WO-2015056180-A1 INDOLINE DERIVATIVES AS INHIBITORS OF PERK GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2015-04-23 WO disclosed
EP-2549868-A1 CHEMICAL COMPOUNDS GlaxoSmithKline LLC (US) 2013-01-30 EP disclosed
WO-2011119663-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC (US) 2011-09-29 WO disclosed