SCHEMBL20141986

SCHEMBL20141986

Cc1cc(C)c(C(=O)N2CCN(c3cc(F)c(F)cc3C#N)C[C@@H]2C)cc1CCN1CCN(c2ccccc2C#N)CC1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MTOR P42345 6/20 0.48
RPTOR Q8N122 6/20 0.48
MLST8 Q9BVC4 6/20 0.48
CHRM2 P08172 3/20 0.44
GRM1 Q13255 1/20 0.43
CHRM4 P08173 2/20 0.41
ADRA1D P25100 1/20 0.40
ADRA1A P35348 1/20 0.40
ADRA1B P35368 1/20 0.40
HTR1A P08908 1/20 0.39
HTR2A P28223 1/20 0.39
DRD3 P35462 2/20 0.39
DRD4 P21917 2/20 0.39
DRD2 P14416 1/20 0.39
DPP4 P27487 1/20 0.38
ALDH1A1 P00352 1/20 0.38
CHRM1 P11229 2/20 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
SCHEMBL20139926 0.95 CHRM2 (0.50) MTORRPTORMLST8CHRM2GRM1
SCHEMBL20157088 0.88 MTOR (0.49) MTORRPTORMLST8HTR1AHTR2A
SCHEMBL20140721 0.87 GRM1 (0.45) MTORRPTORMLST8CHRM2GRM1
SCHEMBL20157490 0.87 GRM1 (0.45) MTORRPTORMLST8CHRM2GRM1
SCHEMBL20140800 0.87 CHRM2 (0.53) MTORRPTORMLST8CHRM2GRM1
SCHEMBL20141016 0.85 MTOR (0.53) MTORRPTORMLST8CHRM2GRM1
SCHEMBL20140905 0.84 CHRM2 (0.51) MTORRPTORMLST8CHRM2GRM1
SCHEMBL20140908 0.84 CHRM2 (0.51) MTORRPTORMLST8CHRM2GRM1
SCHEMBL20141878 0.82 MTOR (0.44) MTORRPTORMLST8CHRM2GRM1
SCHEMBL20140022 0.82 CHRM2 (0.49) MTORRPTORMLST8CHRM2GRM1

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