SCHEMBL20157245

SCHEMBL20157245

CC(C)(C)OC(=O)N1CC2CCN(c3ccccc3C#N)CC1C2

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GRM1 Q13255 3/20 0.46
GRM5 P41594 1/20 0.43
GPR119 Q8TDV5 3/20 0.41
NR1H2 P55055 1/20 0.41
NR1H3 Q13133 1/20 0.41
CHRM4 P08173 1/20 0.40
AR P10275 4/20 0.40
UCHL1 P09936 3/20 0.40
ADAM17 P78536 2/20 0.40
HSD11B1 P28845 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
SCHEMBL30607714 0.81 PARP1 (0.48) GRM1GRM5GPR119NR1H2NR1H3
SCHEMBL20139227 0.80 GPR119 (0.53) GRM1GRM5GPR119CHRM4AR
SCHEMBL20139986 0.80 GPR119 (0.46) GRM1GRM5GPR119NR1H2NR1H3
SCHEMBL652792 0.75 GRM5 (0.53) GRM5GPR119
SCHEMBL12835989 0.75 PIM1 (0.58)
SCHEMBL20156957 0.74 GPR119 (0.47) GRM5GPR119
SCHEMBL2840732 0.74 GRM5 (0.46) GRM1GRM5GPR119NR1H2NR1H3
SCHEMBL13841896 0.74 GRM5 (0.46) GRM1GRM5GPR119NR1H2NR1H3
SCHEMBL2456832 0.74 GRM1 (0.56) GRM1GRM5GPR119NR1H2
SCHEMBL13088807 0.74 UCHL1 (0.56) GRM5UCHL1HSD11B1

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