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SCHEMBL20149916

SCHEMBL20149916

Cc1cc(C)c(C(=O)N2CCN(c3cccc(F)c3/[SH](=O)=N/C(=O)OC(C)(C)C)C[C@@H]2C)c(C)c1NC1CCN(c2ccc(F)cc2C#N)CC1

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ MTOR P42345 9/20 0.52
▸ RPTOR Q8N122 9/20 0.52
▸ MLST8 Q9BVC4 9/20 0.52
▸ HCRTR2 O43614 7/20 0.35
▸ HCRTR1 O43613 6/20 0.35
▸ TP53 P04637 1/20 0.34
▸ GPR6 P46095 2/20 0.32
▸ CHRM2 P08172 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
SCHEMBL20149914 0.87 MTOR (0.52) MTORRPTORMLST8HCRTR2HCRTR1
SCHEMBL20133587 0.87 MTOR (0.52) MTORRPTORMLST8HCRTR2HCRTR1
SCHEMBL20149879 0.83 MTOR (0.58) MTORRPTORMLST8HCRTR2HCRTR1
SCHEMBL20133570 0.82 MTOR (0.61) MTORRPTORMLST8HCRTR2HCRTR1
SCHEMBL20133591 0.82 MTOR (0.57) MTORRPTORMLST8HCRTR2HCRTR1
SCHEMBL20149878 0.82 MTOR (0.57) MTORRPTORMLST8HCRTR2HCRTR1
SCHEMBL20142908 0.82 MTOR (0.61) MTORRPTORMLST8HCRTR2HCRTR1
SCHEMBL20133579 0.81 MTOR (0.51) MTORRPTORMLST8HCRTR2HCRTR1
SCHEMBL20149919 0.81 MTOR (0.51) MTORRPTORMLST8HCRTR2HCRTR1
SCHEMBL20149762 0.78 MTOR (0.55) MTORRPTORMLST8HCRTR2HCRTR1

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