SCHEMBL20142657

SCHEMBL20142657

Cc1c(CN2CCN(c3ccccc3Cl)CC2)cc(C(=O)N2CCN(c3cc(F)ccc3C#N)CC2C)n1C

nearest known ligand 0.77

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MTOR P42345 6/20 0.77
RPTOR Q8N122 6/20 0.77
MLST8 Q9BVC4 6/20 0.77
CHRM2 P08172 4/20 0.41
GRM1 Q13255 1/20 0.41
CHRM4 P08173 6/20 0.40
CHRM1 P11229 3/20 0.40
CHRM5 P08912 1/20 0.40
TACR3 P29371 2/20 0.39
DRD2 P14416 1/20 0.38
DRD4 P21917 1/20 0.38

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
SCHEMBL20142656 1.00 MTOR (0.77) MTORRPTORMLST8CHRM2GRM1
SCHEMBL20159013 0.93 MTOR (0.80) MTORRPTORMLST8CHRM2GRM1
SCHEMBL20159154 0.89 MTOR (0.72) MTORRPTORMLST8CHRM2GRM1
SCHEMBL20159093 0.88 MTOR (0.68) MTORRPTORMLST8TACR3DRD2
SCHEMBL20139536 0.87 MTOR (1.00) MTORRPTORMLST8CHRM2CHRM4
SCHEMBL20139537 0.87 MTOR (1.00) MTORRPTORMLST8CHRM2CHRM4
SCHEMBL20159012 0.86 MTOR (0.72) MTORRPTORMLST8CHRM2CHRM4
SCHEMBL20140568 0.86 MTOR (0.58) MTORRPTORMLST8CHRM2GRM1
SCHEMBL20140565 0.86 MTOR (0.58) MTORRPTORMLST8CHRM2GRM1
SCHEMBL20159113 0.85 MTOR (0.73) MTORRPTORMLST8CHRM2CHRM4

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