SCHEMBL20142908

SCHEMBL20142908

Cc1cc(C)c(C(=O)N2CCN(c3cccc(F)c3S(N)(=O)=O)CC2C)c(C)c1NC1CCN(c2ccc(F)cc2C#N)CC1

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MTOR P42345 9/20 0.61
RPTOR Q8N122 9/20 0.61
MLST8 Q9BVC4 9/20 0.61
HCRTR1 O43613 3/20 0.34
HCRTR2 O43614 3/20 0.34
GPR6 P46095 1/20 0.34
CHRM2 P08172 1/20 0.34
HSD11B1 P28845 3/20 0.33
GRM1 Q13255 1/20 0.33
MAPT P10636 1/20 0.33
CHRM4 P08173 1/20 0.33

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
SCHEMBL20133570 1.00 MTOR (0.61) MTORRPTORMLST8HCRTR1HCRTR2
SCHEMBL20149878 0.93 MTOR (0.57) MTORRPTORMLST8HCRTR1HCRTR2
SCHEMBL20133591 0.93 MTOR (0.57) MTORRPTORMLST8HCRTR1HCRTR2
SCHEMBL20149891 0.92 MTOR (0.67) MTORRPTORMLST8GPR6MAPT
SCHEMBL20149914 0.88 MTOR (0.52) MTORRPTORMLST8HCRTR1HCRTR2
SCHEMBL20133587 0.88 MTOR (0.52) MTORRPTORMLST8HCRTR1HCRTR2
SCHEMBL20149879 0.88 MTOR (0.58) MTORRPTORMLST8HCRTR1HCRTR2
SCHEMBL20133807 0.87 MTOR (0.52) MTORRPTORMLST8HCRTR1HCRTR2
SCHEMBL20133580 0.87 MTOR (0.64) MTORRPTORMLST8HCRTR1HCRTR2
SCHEMBL20133754 0.87 MTOR (0.64) MTORRPTORMLST8HCRTR1HCRTR2

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
EP-3538091-A1 PHENYL AMINO PIPERIDINE mTORC INHIBITORS AND USES THEREOF Navitor Pharmaceuticals, Inc. (US) 2019-09-18 EP disclosed
WO-2018089499-A1 PHENYL AMINO PIPERIDINE mTORC INHIBITORS AND USES THEREOF NAVITOR PHARMACEUTICALS, INC. (US) 2018-05-17 WO disclosed