SCHEMBL20157302

SCHEMBL20157302

Cc1ccc(CN2CCN(c3ccccc3C#N)CC2)cc1C(=O)N1CCN(c2cccc(C#N)n2)CC1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTOR P42345 2/20 0.43
RPTOR Q8N122 2/20 0.43
MLST8 Q9BVC4 2/20 0.43
GRM1 Q13255 1/20 0.43
PARP1 P09874 1/20 0.42
CHRM4 P08173 7/20 0.42
CHRM2 P08172 3/20 0.40
CHRM1 P11229 1/20 0.40
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.39
DRD4 P21917 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
DRD2 P14416 1/20 0.39
HTR2A P28223 1/20 0.39
DRD3 P35462 1/20 0.39
THPO P40225 1/20 0.39
HIF1A Q16665 1/20 0.39
NPSR1 Q6W5P4 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
SCHEMBL20157300 1.00 MTOR (0.43) MTORRPTORMLST8GRM1PARP1
SCHEMBL20140106 0.90 GRM1 (0.47) GRM1PARP1CHRM4KDM4EALDH1A1
SCHEMBL20142175 0.90 GRM1 (0.50) MTORRPTORMLST8GRM1CHRM4
SCHEMBL20140055 0.89 MTOR (0.46) MTORRPTORMLST8GRM1CHRM4
SCHEMBL20157004 0.89 CHRM4 (0.47) MTORRPTORMLST8GRM1CHRM4
SCHEMBL20157005 0.89 CHRM4 (0.47) MTORRPTORMLST8GRM1CHRM4
SCHEMBL20157075 0.86 CHRM4 (0.49) MTORRPTORMLST8GRM1CHRM4
SCHEMBL20157081 0.86 CHRM4 (0.49) MTORRPTORMLST8GRM1CHRM4
SCHEMBL20157188 0.86 MTOR (0.55) MTORRPTORMLST8GRM1CHRM4
SCHEMBL20157186 0.86 MTOR (0.55) MTORRPTORMLST8GRM1CHRM4

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-2018089433-A1 PHENYL mTORC INHIBITORS AND USES THEREOF NAVITOR PHARMACEUTICALS, INC. (US) 2018-05-17 WO disclosed