SCHEMBL20140722

SCHEMBL20140722

CC(C)(C)OC(=O)N1CC[C@@H](c2ccccc2C#N)C1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 6/20 0.53
MAPT P10636 2/20 0.49
MEN1 O00255 1/20 0.49
ALDH1A1 P00352 1/20 0.49
KMT2A Q03164 1/20 0.49
HPGDS O60760 1/20 0.48
PROKR1 Q8TCW9 1/20 0.47
PDE4B Q07343 1/20 0.47
USP30 Q70CQ3 2/20 0.46
NAMPT P43490 1/20 0.46
RET P07949 1/20 0.45
KDM4E B2RXH2 1/20 0.44
THRB P10828 1/20 0.44
JAK2 O60674 1/20 0.44
JAK1 P23458 1/20 0.44

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
SCHEMBL19404952 1.00 GPR119 (0.53) GPR119MAPTMEN1ALDH1A1KMT2A
SCHEMBL17866332 0.94 MEN1 (0.54) GPR119MAPTMEN1ALDH1A1KMT2A
SCHEMBL1513265 0.93 GPR119 (0.57) GPR119MAPTNAMPTRETKDM4E
SCHEMBL3436375 0.85 HSD11B1 (0.54) GPR119MAPTHPGDSPDE4BUSP30
SCHEMBL38652150 0.84 GPR119 (0.45) GPR119MAPTMEN1ALDH1A1KMT2A
SCHEMBL25378846 0.82 GPR119 (0.56) GPR119PDE4BRET
SCHEMBL21352382 0.82 GPR119 (0.50) GPR119MAPTHPGDSPDE4BUSP30
SCHEMBL2078377 0.82 GPR119 (0.50) GPR119MAPTHPGDSPDE4BUSP30
SCHEMBL28334298 0.82 GPR119 (0.50) GPR119MAPTHPGDSPDE4BUSP30
SCHEMBL31321190 0.82 GPR119 (0.52) GPR119MAPTNAMPTRETKDM4E

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