SCHEMBL20141860

SCHEMBL20141860

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

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GRM1 Q13255 2/20 0.47
HSD11B1 P28845 8/20 0.41
MTOR P42345 4/20 0.40
RPTOR Q8N122 4/20 0.40
MLST8 Q9BVC4 4/20 0.40
DRD4 P21917 2/20 0.38
DRD2 P14416 1/20 0.38
DRD3 P35462 1/20 0.38
CHRM4 P08173 1/20 0.37
CHRM2 P08172 1/20 0.36
CYP2D6 P10635 1/20 0.36
GSK3B P49841 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
SCHEMBL20140709 0.91 GRM1 (0.50) GRM1HSD11B1MTORRPTORMLST8
SCHEMBL20142060 0.91 GRM1 (0.50) GRM1HSD11B1MTORRPTORMLST8
SCHEMBL20140861 0.86 GRM1 (0.51) GRM1HSD11B1MTORRPTORMLST8
SCHEMBL20140128 0.85 GRM1 (0.45) GRM1HSD11B1MTORRPTORMLST8
SCHEMBL20141002 0.84 MCL1 (0.46) MTORRPTORMLST8DRD4DRD2
SCHEMBL20140024 0.83 GRM1 (0.43) GRM1HSD11B1CYP2D6GSK3B
SCHEMBL20139834 0.81 GRM1 (0.41) GRM1HSD11B1MTORRPTORMLST8
SCHEMBL20141109 0.78 MTOR (0.40) GRM1HSD11B1MTORRPTORMLST8
SCHEMBL20141108 0.78 MTOR (0.40) GRM1HSD11B1MTORRPTORMLST8
SCHEMBL20140960 0.78 MTOR (0.46) MTORRPTORMLST8DRD4DRD2

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