SCHEMBL20139834

SCHEMBL20139834

Cc1cc(C)c(S(=O)(=O)N2CCN(c3ccccc3C#N)C[C@@H]2C)cc1CN1CCN(c2ccccc2C#N)C[C@@H]1C

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GRM1 Q13255 1/20 0.41
HSD11B1 P28845 7/20 0.40
CYP2D6 P10635 1/20 0.35
GSK3B P49841 1/20 0.35
CHRM4 P08173 2/20 0.34
MTOR P42345 2/20 0.34
RPTOR Q8N122 2/20 0.34
MLST8 Q9BVC4 2/20 0.34
CHRM2 P08172 1/20 0.34
DRD4 P21917 1/20 0.34
AR P10275 1/20 0.34
PARP1 P09874 1/20 0.33
TNK1 Q13470 1/20 0.33
HTR7 P34969 1/20 0.33

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
SCHEMBL20140644 0.92 GRM1 (0.42) GRM1HSD11B1CYP2D6GSK3BMTOR
SCHEMBL20140128 0.89 GRM1 (0.45) GRM1HSD11B1CYP2D6GSK3BCHRM4
SCHEMBL20141109 0.88 MTOR (0.40) GRM1HSD11B1CYP2D6CHRM4MTOR
SCHEMBL20141108 0.88 MTOR (0.40) GRM1HSD11B1CYP2D6CHRM4MTOR
SCHEMBL20140024 0.82 GRM1 (0.43) GRM1HSD11B1CYP2D6GSK3B
SCHEMBL20141860 0.81 GRM1 (0.47) GRM1HSD11B1CYP2D6GSK3BCHRM4
SCHEMBL20140941 0.80 GRM1 (0.46) GRM1CYP2D6GSK3BCHRM4MTOR
SCHEMBL20142472 0.80 DRD2 (0.42) GRM1HSD11B1MTORRPTORMLST8
SCHEMBL20142471 0.80 DRD2 (0.42) GRM1HSD11B1MTORRPTORMLST8
SCHEMBL20140709 0.80 GRM1 (0.50) GRM1HSD11B1CYP2D6CHRM4MTOR

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