SCHEMBL20139986

SCHEMBL20139986

CC(C)(C)OC(=O)N1C2CC1CN(c1ccccc1C#N)C2

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 3/20 0.46
RET P07949 3/20 0.46
GRM1 Q13255 2/20 0.44
GRM5 P41594 1/20 0.43
CHRM2 P08172 1/20 0.42
CHRM1 P11229 1/20 0.42
CHRM3 P20309 1/20 0.42
AR P10275 3/20 0.41
JAK1 P23458 1/20 0.40
BCHE P06276 1/20 0.39
HDAC1 Q13547 1/20 0.39
HSD11B1 P28845 1/20 0.39
NR1H2 P55055 1/20 0.38
NR1H3 Q13133 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
SCHEMBL20139227 0.93 GPR119 (0.53) GPR119RETGRM1GRM5CHRM2
SCHEMBL2456832 0.81 GRM1 (0.56) GPR119GRM1GRM5NR1H2
SCHEMBL20140595 0.80 GRM1 (0.50) GRM1GRM5
SCHEMBL29385182 0.80 TLR8 (0.52) GPR119RETJAK1
SCHEMBL30607714 0.80 PARP1 (0.48) GPR119RETGRM1GRM5AR
SCHEMBL20157245 0.80 GRM1 (0.46) GPR119GRM1GRM5ARHSD11B1
SCHEMBL19838611 0.79 GPR119 (0.54) GPR119RETCHRM2CHRM1CHRM3
SCHEMBL21142472 0.79 GPR119 (0.54) GPR119RETCHRM2CHRM1CHRM3
SCHEMBL19838612 0.79 GPR119 (0.54) GPR119RETCHRM2CHRM1CHRM3
SCHEMBL19838613 0.79 GPR119 (0.54) GPR119RETCHRM2CHRM1CHRM3

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