SCHEMBL20159113

SCHEMBL20159113

Cc1c(CN2CCN(c3ccccc3Cl)CC2)cc(C(=O)N2CCN(c3cccc(F)c3)C[C@@H]2C)n1C

nearest known ligand 0.73

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MTOR P42345 5/20 0.73
RPTOR Q8N122 5/20 0.73
MLST8 Q9BVC4 5/20 0.73
CHRM4 P08173 4/20 0.42
CHRM2 P08172 6/20 0.41
CHRM1 P11229 5/20 0.41
CHRM3 P20309 3/20 0.41
CHRM5 P08912 2/20 0.41
MGLL Q99685 1/20 0.41
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 1/20 0.39
PLA2G1B P04054 1/20 0.39
RAB9A P51151 1/20 0.39
ATG4B Q9Y4P1 1/20 0.39
DRD2 P14416 2/20 0.39
DRD4 P21917 2/20 0.39

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 SCHEMBL20142195 0.95 MTOR (0.67) MTORRPTORMLST8CHRM4CHRM2
SCHEMBL20141139 0.93 MTOR (0.72) MTORRPTORMLST8CHRM4CHRM2
SCHEMBL20141137 0.93 MTOR (0.72) MTORRPTORMLST8CHRM4CHRM2
SCHEMBL20141653 0.93 MTOR (0.71) MTORRPTORMLST8CHRM4MGLL
SCHEMBL20141650 0.93 MTOR (0.71) MTORRPTORMLST8CHRM4MGLL
SCHEMBL20159012 0.92 MTOR (0.72) MTORRPTORMLST8CHRM4CHRM2
SCHEMBL20139219 0.90 MTOR (0.73) MTORRPTORMLST8CHRM4CHRM2
SCHEMBL20139220 0.90 MTOR (0.73) MTORRPTORMLST8CHRM4CHRM2
SCHEMBL20142216 0.89 MTOR (0.74) MTORRPTORMLST8CHRM4CHRM2
SCHEMBL20142217 0.89 MTOR (0.74) MTORRPTORMLST8CHRM4CHRM2

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