SCHEMBL20141137

SCHEMBL20141137

Cc1c(CN2CCN(c3ccccc3Cl)CC2)cc(C(=O)N2CCN(c3cc(F)cc(F)c3)C[C@@H]2C)n1C

nearest known ligand 0.72

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MTOR P42345 5/20 0.72
RPTOR Q8N122 5/20 0.72
MLST8 Q9BVC4 5/20 0.72
CHRM2 P08172 7/20 0.47
CHRM1 P11229 6/20 0.47
CHRM4 P08173 6/20 0.45
CHRM3 P20309 3/20 0.41
CHRM5 P08912 2/20 0.41
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
PLA2G1B P04054 1/20 0.40
RAB9A P51151 1/20 0.40
ATG4B Q9Y4P1 1/20 0.40
DRD2 P14416 1/20 0.39
DRD4 P21917 1/20 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
SCHEMBL20141139 1.00 MTOR (0.72) MTORRPTORMLST8CHRM2CHRM1
SCHEMBL20159113 0.93 MTOR (0.73) MTORRPTORMLST8CHRM2CHRM1
SCHEMBL20159012 0.93 MTOR (0.72) MTORRPTORMLST8CHRM2CHRM1
SCHEMBL20142216 0.92 MTOR (0.74) MTORRPTORMLST8CHRM2CHRM1
SCHEMBL20142217 0.92 MTOR (0.74) MTORRPTORMLST8CHRM2CHRM1
SCHEMBL20140657 0.90 MTOR (0.68) MTORRPTORMLST8CHRM2CHRM1
SCHEMBL20140654 0.90 MTOR (0.68) MTORRPTORMLST8CHRM2CHRM1
SCHEMBL20139219 0.90 MTOR (0.73) MTORRPTORMLST8CHRM2CHRM1
SCHEMBL20139220 0.90 MTOR (0.73) MTORRPTORMLST8CHRM2CHRM1
Trifluoroacetic Acid SCHEMBL20142195 0.89 MTOR (0.67) MTORRPTORMLST8CHRM2CHRM1

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