SCHEMBL20140629

SCHEMBL20140629

Cc1cc(C)c(S(=O)(=O)N2CCN(c3ccccc3C#N)CC2)cc1C(=O)N1CCN(c2cc(F)c(C#N)cc2F)C[C@@H]1C

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 4/20 0.49
MTOR P42345 4/20 0.44
RPTOR Q8N122 4/20 0.44
MLST8 Q9BVC4 4/20 0.44
GRM1 Q13255 1/20 0.43
LMNA P02545 3/20 0.43
HTT P42858 2/20 0.43
GAA P10253 1/20 0.42
MAPK1 P28482 1/20 0.42
KMT2A Q03164 1/20 0.42
HSD17B10 Q99714 1/20 0.42
MAPT P10636 1/20 0.38
CHRM4 P08173 4/20 0.38
CHRM1 P11229 3/20 0.38
CHRM5 P08912 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
SCHEMBL20139885 0.94 MTOR (0.44) CHRM2MTORRPTORMLST8GRM1
SCHEMBL20141878 0.94 MTOR (0.44) CHRM2MTORRPTORMLST8GRM1
SCHEMBL20140280 0.87 GRM1 (0.45) CHRM2MTORRPTORMLST8GRM1
SCHEMBL20142818 0.87 GRM1 (0.45) CHRM2MTORRPTORMLST8GRM1
SCHEMBL20140684 0.87 MTOR (0.51) CHRM2MTORRPTORMLST8GRM1
SCHEMBL20156938 0.87 MTOR (0.51) CHRM2MTORRPTORMLST8GRM1
SCHEMBL20140709 0.85 GRM1 (0.50) CHRM2MTORRPTORMLST8GRM1
SCHEMBL20142060 0.85 GRM1 (0.50) CHRM2MTORRPTORMLST8GRM1
SCHEMBL20140800 0.83 CHRM2 (0.53) CHRM2MTORRPTORMLST8GRM1
SCHEMBL20139926 0.82 CHRM2 (0.50) CHRM2MTORRPTORMLST8GRM1

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