SCHEMBL20159161

SCHEMBL20159161

Cc1c(CN2CCN(c3ccccc3C#N)CC2)cc(C(=O)N2CCN(c3cccc(C#N)c3)C[C@@H]2C)n1C

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MTOR P42345 6/20 0.64
RPTOR Q8N122 6/20 0.64
MLST8 Q9BVC4 6/20 0.64
CHRM2 P08172 3/20 0.49
CHRM1 P11229 3/20 0.49
CHRM4 P08173 5/20 0.43
GRM1 Q13255 1/20 0.42
DRD2 P14416 2/20 0.41
HTR7 P34969 1/20 0.40
DRD4 P21917 2/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
HTR2A P28223 1/20 0.40
DRD3 P35462 1/20 0.40
THPO P40225 1/20 0.40
HIF1A Q16665 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
SCHEMBL20140539 0.93 MTOR (0.74) MTORRPTORMLST8CHRM2CHRM1
SCHEMBL20140540 0.93 MTOR (0.74) MTORRPTORMLST8CHRM2CHRM1
SCHEMBL20159154 0.91 MTOR (0.72) MTORRPTORMLST8CHRM2CHRM4
SCHEMBL20140260 0.90 MTOR (0.70) MTORRPTORMLST8CHRM2CHRM1
SCHEMBL20140258 0.90 MTOR (0.70) MTORRPTORMLST8CHRM2CHRM1
SCHEMBL20159013 0.87 MTOR (0.80) MTORRPTORMLST8CHRM2CHRM4
SCHEMBL20158991 0.86 CHRM2 (0.53) MTORRPTORMLST8CHRM2CHRM1
SCHEMBL20159228 0.84 MTOR (0.64) MTORRPTORMLST8CHRM4GRM1
SCHEMBL20140249 0.84 MTOR (0.60) MTORRPTORMLST8CHRM2CHRM1
SCHEMBL20140252 0.84 MTOR (0.60) 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 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