SCHEMBL20139264

SCHEMBL20139264

CCCC[CH]CCc1ccccc1N1CCN(Cc2cc(C(=O)N3CCN(c4ccccc4)CC3C)n(C)c2C)CC1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MTOR P42345 5/20 0.52
RPTOR Q8N122 5/20 0.52
MLST8 Q9BVC4 5/20 0.52
SCD5 Q86SK9 1/20 0.38
HTR7 P34969 4/20 0.37
CHRM4 P08173 3/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.34

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
SCHEMBL20159032 0.87 MTOR (0.57) MTORRPTORMLST8SCD5HTR7
SCHEMBL20159033 0.87 MTOR (0.57) MTORRPTORMLST8SCD5HTR7
SCHEMBL20159083 0.87 MTOR (0.57) MTORRPTORMLST8SCD5HTR7
SCHEMBL20140150 0.86 MTOR (0.57) MTORRPTORMLST8SCD5HTR7
Trifluoroacetic Acid SCHEMBL20142573 0.83 MTOR (0.55) MTORRPTORMLST8SCD5CHRM4
Trifluoroacetic Acid SCHEMBL20141728 0.83 MTOR (0.55) MTORRPTORMLST8SCD5CHRM4
SCHEMBL20139265 0.81 MTOR (0.52) MTORRPTORMLST8SCD5HTR7
SCHEMBL20139828 0.80 MTOR (0.49) MTORRPTORMLST8SCD5NPC1
SCHEMBL20154262 0.79 MTOR (0.48) MTORRPTORMLST8SCD5CHRM4
SCHEMBL20139244 0.78 MTOR (0.55) MTORRPTORMLST8SCD5HTR7

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-2018089493-A1 PYRROLE mTORC INHIBITORS AND USES THEREOF NAVITOR PHARMACEUTICALS, INC. (US) 2018-05-17 WO disclosed