SCHEMBL20159079

SCHEMBL20159079

Cn1cc(CN2CCN(c3ccccc3Cl)CC2)cc1C(=O)N1CCN(c2cc(F)c(F)c(F)c2)CC1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MTOR P42345 2/20 0.52
RPTOR Q8N122 2/20 0.52
MLST8 Q9BVC4 2/20 0.52
HTR7 P34969 1/20 0.49
POLB P06746 2/20 0.47
LMNA P02545 1/20 0.47
HRH3 Q9Y5N1 2/20 0.46
CHRM4 P08173 3/20 0.46
CACNA1G O43497 2/20 0.44
DRD2 P14416 1/20 0.43
HTR2A P28223 1/20 0.43
RBP4 P02753 1/20 0.43
CHRM2 P08172 1/20 0.42

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
Trifluoroacetic Acid SCHEMBL20139757 0.95 MTOR (0.50) MTORRPTORMLST8HTR7POLB
SCHEMBL20159286 0.92 MTOR (0.51) MTORRPTORMLST8HTR7POLB
SCHEMBL20159115 0.90 MTOR (0.55) MTORRPTORMLST8HTR7POLB
SCHEMBL20159024 0.89 MTOR (0.64) MTORRPTORMLST8HTR7POLB
SCHEMBL20159011 0.87 MTOR (0.44) MTORRPTORMLST8HTR7POLB
SCHEMBL20139298 0.86 CHRM4 (0.58) MTORRPTORMLST8CHRM4CHRM2
SCHEMBL20139300 0.86 CHRM4 (0.58) MTORRPTORMLST8CHRM4CHRM2
SCHEMBL20159007 0.85 POLB (0.55) MTORRPTORMLST8HTR7POLB
SCHEMBL20159166 0.85 POLB (0.55) MTORRPTORMLST8HTR7POLB
SCHEMBL20139877 0.83 MTOR (0.64) MTORRPTORMLST8HTR7LMNA

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