SCHEMBL20141653

SCHEMBL20141653

Cc1c(CN2CCN(c3ccccc3Cl)CC2)cc(C(=O)N2CCN(c3cccc(Cl)c3)CC2C)n1C

nearest known ligand 0.71

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MTOR P42345 5/20 0.71
RPTOR Q8N122 5/20 0.71
MLST8 Q9BVC4 5/20 0.71
MGLL Q99685 1/20 0.44
DRD2 P14416 4/20 0.41
DRD4 P21917 4/20 0.41
DRD3 P35462 1/20 0.41
KDM4E B2RXH2 2/20 0.41
PTGDR2 Q9Y5Y4 1/20 0.41
ALDH1A1 P00352 1/20 0.41
PLA2G1B P04054 1/20 0.41
RAB9A P51151 1/20 0.41
ATG4B Q9Y4P1 1/20 0.41
HTR1A P08908 2/20 0.40
HTR7 P34969 2/20 0.40
OPRM1 P35372 1/20 0.40
OPRD1 P41143 1/20 0.40
CHRM4 P08173 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
SCHEMBL20141650 1.00 MTOR (0.71) MTORRPTORMLST8MGLLDRD2
SCHEMBL20159113 0.93 MTOR (0.73) MTORRPTORMLST8MGLLDRD2
SCHEMBL20139220 0.91 MTOR (0.73) MTORRPTORMLST8MGLLCHRM4
SCHEMBL20139219 0.91 MTOR (0.73) MTORRPTORMLST8MGLLCHRM4
SCHEMBL20140539 0.90 MTOR (0.74) MTORRPTORMLST8DRD2DRD4
SCHEMBL20140540 0.90 MTOR (0.74) MTORRPTORMLST8DRD2DRD4
SCHEMBL20159012 0.89 MTOR (0.72) MTORRPTORMLST8DRD2DRD4
SCHEMBL20141139 0.89 MTOR (0.72) MTORRPTORMLST8DRD2DRD4
SCHEMBL20141137 0.89 MTOR (0.72) MTORRPTORMLST8DRD2DRD4
SCHEMBL20139606 0.88 MTOR (0.65) MTORRPTORMLST8MGLLPTGDR2

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