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SCHEMBL20149919

SCHEMBL20149919

Cc1cc(C)c(C(=O)N2CCN(c3cccc(F)c3[S@](C)(=O)=NC(=O)OC(C)(C)C)C[C@@H]2C)c(C)c1NC1CCN(c2ccccc2C#N)CC1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ MTOR P42345 9/20 0.51
▸ RPTOR Q8N122 9/20 0.51
▸ MLST8 Q9BVC4 9/20 0.51
▸ GRM1 Q13255 1/20 0.35
▸ HCRTR1 O43613 4/20 0.35
▸ HCRTR2 O43614 4/20 0.35
▸ CHRM2 P08172 4/20 0.34
▸ CHRM4 P08173 2/20 0.33
▸ CHRM1 P11229 3/20 0.32
▸ CHRM5 P08912 1/20 0.32

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
SCHEMBL20133579 1.00 MTOR (0.51) MTORRPTORMLST8GRM1HCRTR1
SCHEMBL20149914 0.95 MTOR (0.52) MTORRPTORMLST8HCRTR1HCRTR2
SCHEMBL20133587 0.95 MTOR (0.52) MTORRPTORMLST8HCRTR1HCRTR2
SCHEMBL20133754 0.89 MTOR (0.64) MTORRPTORMLST8GRM1HCRTR1
SCHEMBL20133750 0.89 MTOR (0.64) MTORRPTORMLST8GRM1HCRTR1
SCHEMBL20133580 0.89 MTOR (0.64) MTORRPTORMLST8GRM1HCRTR1
SCHEMBL20149762 0.83 MTOR (0.55) MTORRPTORMLST8GRM1HCRTR1
SCHEMBL20149878 0.83 MTOR (0.57) MTORRPTORMLST8GRM1HCRTR1
SCHEMBL20133591 0.83 MTOR (0.57) MTORRPTORMLST8GRM1HCRTR1
SCHEMBL22693219 0.82 MTOR (0.54) MTORRPTORMLST8GRM1HCRTR1

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-2018089499-A1 PHENYL AMINO PIPERIDINE mTORC INHIBITORS AND USES THEREOF NAVITOR PHARMACEUTICALS, INC. (US) 2018-05-17 — — WO disclosed