SCHEMBL20156957

SCHEMBL20156957

CC(C)(C)OC(=O)N1CC2CCC(C1)N2c1ccccc1C#N

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 9/20 0.47
SCN9A Q15858 1/20 0.41
NAMPT P43490 1/20 0.41
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
KMT2A Q03164 1/20 0.40
USP30 Q70CQ3 1/20 0.40
RORC P51449 1/20 0.40
GRM5 P41594 1/20 0.40
IRAK4 Q9NWZ3 1/20 0.39

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
SCHEMBL2456832 0.83 GRM1 (0.56) GPR119NAMPTRORCGRM5
SCHEMBL20139227 0.82 GPR119 (0.53) GPR119GRM5
SCHEMBL652792 0.80 GRM5 (0.53) GPR119NAMPTALDH1A1MAPTGRM5
SCHEMBL22919200 0.78 AR (0.54) GPR119IRAK4
SCHEMBL23123370 0.77 SCN9A (0.43) GPR119SCN9ANAMPTUSP30RORC
SCHEMBL20139986 0.77 GPR119 (0.46) GPR119GRM5
SCHEMBL29795605 0.77 SCN9A (0.43) GPR119SCN9ANAMPTUSP30RORC
SCHEMBL29795606 0.77 SCN9A (0.43) GPR119SCN9ANAMPTUSP30RORC
SCHEMBL31432988 0.77 CYP11B2 (0.52) GPR119MEN1ALDH1A1KMT2AGRM5
SCHEMBL31432814 0.76 CYP11B2 (0.53) GPR119GRM5

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