SCHEMBL20139615

SCHEMBL20139615

Cc1c(CN2CCN(c3ccccc3Cl)CC2)cc(C(=O)N2CCN(c3ncc(F)cn3)CC2C)n1C

nearest known ligand 0.69

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MTOR P42345 4/20 0.69
RPTOR Q8N122 4/20 0.69
MLST8 Q9BVC4 4/20 0.69
CHRM4 P08173 6/20 0.48
CHRM2 P08172 7/20 0.42
CHRM1 P11229 7/20 0.42
CHRM3 P20309 4/20 0.42
SLC6A7 Q99884 2/20 0.40
CHRM5 P08912 1/20 0.40

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
SCHEMBL20158934 1.00 MTOR (0.69) MTORRPTORMLST8CHRM4CHRM2
SCHEMBL20139235 0.92 MTOR (0.69) MTORRPTORMLST8CHRM4CHRM2
SCHEMBL20139237 0.92 MTOR (0.69) MTORRPTORMLST8CHRM4CHRM2
SCHEMBL20141139 0.88 MTOR (0.72) MTORRPTORMLST8CHRM4CHRM2
SCHEMBL20159012 0.88 MTOR (0.72) MTORRPTORMLST8CHRM4CHRM2
SCHEMBL20141137 0.88 MTOR (0.72) MTORRPTORMLST8CHRM4CHRM2
SCHEMBL20159019 0.87 MTOR (0.59) MTORRPTORMLST8
SCHEMBL20159113 0.86 MTOR (0.73) MTORRPTORMLST8CHRM4CHRM2
SCHEMBL20142217 0.85 MTOR (0.74) MTORRPTORMLST8CHRM4CHRM2
SCHEMBL20142216 0.85 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