SCHEMBL20142327

SCHEMBL20142327

CC(C)(C)OC(=O)N1CC=C(c2ccccc2C#N)C1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDK4 Q16654 1/20 0.52
GPR119 Q8TDV5 2/20 0.50
TBK1 Q9UHD2 2/20 0.44
NAMPT P43490 1/20 0.43
GRM5 P41594 6/20 0.42
GRM1 Q13255 5/20 0.42
ELANE P08246 2/20 0.41
EED O75530 1/20 0.41
RBBP4 Q09028 1/20 0.41
SUZ12 Q15022 1/20 0.41
EZH2 Q15910 1/20 0.41
HTR6 P50406 1/20 0.41
MAPK1 P28482 1/20 0.39
SCN9A Q15858 1/20 0.38

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
SCHEMBL1513273 0.88 PDK4 (0.64) PDK4GPR119TBK1NAMPTGRM5
SCHEMBL3642418 0.81 PDK4 (0.55) PDK4GPR119NAMPTGRM5GRM1
SCHEMBL26074064 0.81 PDK4 (0.55) PDK4GPR119NAMPTGRM5GRM1
SCHEMBL31120842 0.81 PDK4 (0.55) PDK4GPR119NAMPTGRM5GRM1
SCHEMBL20141605 0.80 KMT2A (0.42)
SCHEMBL24984469 0.80 TBK1 (0.43) PDK4GPR119TBK1NAMPTGRM5
SCHEMBL25831860 0.80 GPR119 (0.47) PDK4GPR119TBK1NAMPTGRM5
SCHEMBL30163921 0.80 TBK1 (0.43) PDK4GPR119TBK1NAMPTGRM5
SCHEMBL25044030 0.80 PDK4 (0.54) PDK4GPR119NAMPTGRM5GRM1
SCHEMBL31159182 0.79 GPR119 (0.48) PDK4GPR119

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2018089433-A1 PHENYL mTORC INHIBITORS AND USES THEREOF NAVITOR PHARMACEUTICALS, INC. (US) 2018-05-17 WO disclosed