SCHEMBL20139860

SCHEMBL20139860

Cc1cc(C)c(C(=O)N2CC3CCC(C2)N3c2cc(F)c(C#N)cc2F)cc1CN1CCN(c2ccccc2C#N)CC1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MTOR P42345 9/20 0.46
RPTOR Q8N122 9/20 0.46
MLST8 Q9BVC4 9/20 0.46
CHRM2 P08172 1/20 0.41
DRD4 P21917 4/20 0.39
DRD2 P14416 2/20 0.39
DRD3 P35462 2/20 0.39
DPP4 P27487 1/20 0.38
PARP1 P09874 1/20 0.38
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
HTR2A P28223 1/20 0.38
THPO P40225 1/20 0.38
HIF1A Q16665 1/20 0.38
CHRM4 P08173 1/20 0.36

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
SCHEMBL20139904 0.92 MTOR (0.48) MTORRPTORMLST8CHRM2DRD4
SCHEMBL20141003 0.84 MTOR (0.54) MTORRPTORMLST8DRD4DRD2
SCHEMBL20140926 0.84 MTOR (0.54) MTORRPTORMLST8DRD4DRD2
SCHEMBL20140996 0.84 MTOR (0.44) MTORRPTORMLST8CHRM2DRD4
SCHEMBL20141543 0.84 MTOR (0.54) MTORRPTORMLST8DRD4DRD2
SCHEMBL20140800 0.83 CHRM2 (0.53) MTORRPTORMLST8CHRM2DRD4
SCHEMBL20140617 0.82 MTOR (0.49) MTORRPTORMLST8DRD4DRD2
SCHEMBL20140200 0.82 MTOR (0.59) MTORRPTORMLST8DRD4DRD2
SCHEMBL20156834 0.81 MTOR (0.54) MTORRPTORMLST8DPP4PARP1
SCHEMBL20140908 0.81 CHRM2 (0.51) MTORRPTORMLST8CHRM2DRD4

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