SCHEMBL20141108

SCHEMBL20141108

Cc1cc(C)c(S(=O)(=O)N2CCN(c3ccccc3C#N)C[C@@H]2C)cc1CN1CCCN(c2ccccc2C#N)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTOR P42345 3/20 0.40
RPTOR Q8N122 3/20 0.40
MLST8 Q9BVC4 3/20 0.40
GRM1 Q13255 1/20 0.39
DRD4 P21917 6/20 0.38
DRD2 P14416 3/20 0.38
DRD3 P35462 3/20 0.38
HSD11B1 P28845 3/20 0.38
CHRM4 P08173 2/20 0.37
HTR7 P34969 2/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
HTR2A P28223 1/20 0.37
THPO P40225 1/20 0.37
HIF1A Q16665 1/20 0.37
HTR1A P08908 1/20 0.36
ADRA1A P35348 1/20 0.36

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
SCHEMBL20141109 1.00 MTOR (0.40) MTORRPTORMLST8GRM1DRD4
SCHEMBL20142471 0.91 DRD2 (0.42) MTORRPTORMLST8GRM1DRD4
SCHEMBL20142472 0.91 DRD2 (0.42) MTORRPTORMLST8GRM1DRD4
SCHEMBL20139834 0.88 GRM1 (0.41) MTORRPTORMLST8GRM1DRD4
SCHEMBL20140128 0.86 GRM1 (0.45) MTORRPTORMLST8GRM1DRD4
SCHEMBL20140839 0.82 POLB (0.46) MTORRPTORMLST8DRD4DRD2
SCHEMBL20140644 0.80 GRM1 (0.42) MTORRPTORMLST8GRM1DRD2
SCHEMBL20140821 0.80 MTOR (0.45) MTORRPTORMLST8GRM1DRD4
SCHEMBL20140823 0.80 MTOR (0.45) MTORRPTORMLST8GRM1DRD4
SCHEMBL20140024 0.79 GRM1 (0.43) GRM1HSD11B1CYP2D6

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