SCHEMBL20140128

SCHEMBL20140128

Cc1cc(C)c(S(=O)(=O)N2CCN(c3ccccc3C#N)C[C@@H]2C)cc1CO

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM1 Q13255 1/20 0.45
HSD11B1 P28845 7/20 0.41
DRD4 P21917 4/20 0.38
CYP2D6 P10635 2/20 0.38
DRD2 P14416 2/20 0.38
DRD3 P35462 2/20 0.38
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
HTR2A P28223 1/20 0.38
THPO P40225 1/20 0.38
HIF1A Q16665 1/20 0.38
MTOR P42345 2/20 0.37
RPTOR Q8N122 2/20 0.37
MLST8 Q9BVC4 2/20 0.37
GSK3B P49841 1/20 0.36
CHRM4 P08173 1/20 0.35
THRB P10828 2/20 0.35
GMNN O75496 1/20 0.35

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 0.89 GRM1 (0.41) GRM1HSD11B1DRD4CYP2D6MTOR
SCHEMBL20141549 0.86 GRM1 (0.49) GRM1HSD11B1DRD4KDM4EALDH1A1
SCHEMBL20141108 0.86 MTOR (0.40) GRM1HSD11B1DRD4CYP2D6DRD2
SCHEMBL20141109 0.86 MTOR (0.40) GRM1HSD11B1DRD4CYP2D6DRD2
SCHEMBL20141860 0.85 GRM1 (0.47) GRM1HSD11B1DRD4CYP2D6DRD2
SCHEMBL20140521 0.84 ALDH1A1 (0.44) HSD11B1DRD4CYP2D6DRD2DRD3
SCHEMBL20140024 0.83 GRM1 (0.43) GRM1HSD11B1CYP2D6GSK3B
SCHEMBL20142060 0.83 GRM1 (0.50) GRM1HSD11B1DRD4CYP2D6DRD2
SCHEMBL20140709 0.83 GRM1 (0.50) GRM1HSD11B1DRD4CYP2D6DRD2
SCHEMBL20140644 0.81 GRM1 (0.42) GRM1HSD11B1CYP2D6DRD2KDM4E

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