SCHEMBL20142060

SCHEMBL20142060

Cc1cc(C)c(S(=O)(=O)N2CCN(c3ccccc3C#N)C[C@H]2C)cc1C(=O)N1CCN(c2ccccc2C#N)CC1C

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GRM1 Q13255 5/20 0.50
MTOR P42345 5/20 0.42
RPTOR Q8N122 5/20 0.42
MLST8 Q9BVC4 5/20 0.42
HSD11B1 P28845 4/20 0.40
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
CHRM4 P08173 1/20 0.38
CHRM2 P08172 1/20 0.37
NAAA Q02083 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
DRD2 P14416 1/20 0.37
DRD4 P21917 1/20 0.37
DRD3 P35462 1/20 0.37
IDH1 O75874 1/20 0.37

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
SCHEMBL20140709 1.00 GRM1 (0.50) GRM1MTORRPTORMLST8HSD11B1
SCHEMBL20141860 0.91 GRM1 (0.47) GRM1MTORRPTORMLST8HSD11B1
SCHEMBL20139963 0.87 GRM1 (0.54) GRM1MTORRPTORMLST8HSD11B1
SCHEMBL20140280 0.86 GRM1 (0.45) GRM1MTORRPTORMLST8CHRM4
SCHEMBL20142818 0.86 GRM1 (0.45) GRM1MTORRPTORMLST8CHRM4
SCHEMBL20139885 0.86 MTOR (0.44) GRM1MTORRPTORMLST8KMT2A
SCHEMBL20141878 0.86 MTOR (0.44) GRM1MTORRPTORMLST8KMT2A
SCHEMBL20140629 0.85 CHRM2 (0.49) GRM1MTORRPTORMLST8KMT2A
SCHEMBL20140128 0.83 GRM1 (0.45) GRM1MTORRPTORMLST8HSD11B1
SCHEMBL20140024 0.82 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 1 patent. 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