SCHEMBL20140644

SCHEMBL20140644

Cc1cc(C)c(S(=O)(=O)N2CCN(c3ncccc3C#N)C[C@@H]2C)cc1CN1CCN(c2ccccc2C#N)C[C@@H]1C

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GRM1 Q13255 2/20 0.42
HSD11B1 P28845 5/20 0.41
MTOR P42345 4/20 0.41
RPTOR Q8N122 4/20 0.41
MLST8 Q9BVC4 4/20 0.41
DRD2 P14416 4/20 0.38
HTR2A P28223 3/20 0.37
HTR1A P08908 1/20 0.37
HTR7 P34969 1/20 0.37
CYP2D6 P10635 1/20 0.36
GSK3B P49841 1/20 0.36
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
MAPT P10636 1/20 0.34
RECQL P46063 1/20 0.34

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
SCHEMBL20139834 0.92 GRM1 (0.41) GRM1HSD11B1MTORRPTORMLST8
SCHEMBL20142471 0.89 DRD2 (0.42) GRM1HSD11B1MTORRPTORMLST8
SCHEMBL20142472 0.89 DRD2 (0.42) GRM1HSD11B1MTORRPTORMLST8
SCHEMBL20141549 0.86 GRM1 (0.49) GRM1HSD11B1MTORRPTORMLST8
SCHEMBL20140128 0.81 GRM1 (0.45) GRM1HSD11B1MTORRPTORMLST8
SCHEMBL20141108 0.80 MTOR (0.40) GRM1HSD11B1MTORRPTORMLST8
SCHEMBL20141109 0.80 MTOR (0.40) GRM1HSD11B1MTORRPTORMLST8
SCHEMBL20141184 0.80 GRM1 (0.47) GRM1HSD11B1MTORRPTORMLST8
SCHEMBL20140861 0.80 GRM1 (0.51) GRM1HSD11B1MTORRPTORMLST8
SCHEMBL20139963 0.78 GRM1 (0.54) GRM1HSD11B1MTORRPTORMLST8

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