SCHEMBL20159285

SCHEMBL20159285

Cc1c(C(C)N2CCN(c3ccccc3Cl)CC2)cc(C(=O)N2CCN(c3ccc(F)cc3)C[C@@H]2C)n1C

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MTOR P42345 2/20 0.51
RPTOR Q8N122 2/20 0.51
MLST8 Q9BVC4 2/20 0.51
SMN1; SMN2 Q16637 1/20 0.40
FAAH O00519 2/20 0.39
CHRM4 P08173 2/20 0.39
MGLL Q99685 1/20 0.38
PTGDR2 Q9Y5Y4 2/20 0.37
NPSR1 Q6W5P4 1/20 0.36
SMO Q99835 1/20 0.36
MAPT P10636 1/20 0.36
HTR2A P28223 4/20 0.36
SLC6A4 P31645 4/20 0.36
HTR2C P28335 3/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A3 Q01959 1/20 0.36
CHRM2 P08172 1/20 0.36
CHRM1 P11229 1/20 0.36

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
SCHEMBL20158920 1.00 MTOR (0.51) MTORRPTORMLST8SMN1; SMN2FAAH
SCHEMBL20159282 0.86 MTOR (0.48) MTORRPTORMLST8SMN1; SMN2MAPT
SCHEMBL20159012 0.82 MTOR (0.72) MTORRPTORMLST8CHRM4PTGDR2
SCHEMBL20159122 0.81 MTOR (0.42) MTORRPTORMLST8FAAHCHRM4
SCHEMBL20140654 0.80 MTOR (0.68) MTORRPTORMLST8CHRM4PTGDR2
SCHEMBL20140657 0.80 MTOR (0.68) MTORRPTORMLST8CHRM4PTGDR2
SCHEMBL20141137 0.76 MTOR (0.72) MTORRPTORMLST8CHRM4CHRM2
SCHEMBL20141139 0.76 MTOR (0.72) MTORRPTORMLST8CHRM4CHRM2
SCHEMBL20159113 0.74 MTOR (0.73) MTORRPTORMLST8CHRM4MGLL
SCHEMBL20139219 0.74 MTOR (0.73) MTORRPTORMLST8CHRM4MGLL

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