SCHEMBL20140731

SCHEMBL20140731

Cc1cc(C)c(CN2CCN(c3ccccc3C#N)CC2)cc1CN1CCN(c2ccccc2C#N)CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 10/20 0.54
DRD2 P14416 6/20 0.54
DRD3 P35462 5/20 0.54
MTOR P42345 1/20 0.51
RPTOR Q8N122 1/20 0.51
MLST8 Q9BVC4 1/20 0.51
HTR7 P34969 3/20 0.49
KDM4E B2RXH2 1/20 0.49
ALDH1A1 P00352 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
HTR2A P28223 1/20 0.49
THPO P40225 1/20 0.49
HIF1A Q16665 1/20 0.49
HRH2 P25021 1/20 0.47
HRH1 P35367 1/20 0.47
LMNA P02545 1/20 0.46
HTT P42858 1/20 0.46
HTR1A P08908 1/20 0.46

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
SCHEMBL20156863 0.96 DRD4 (0.53) DRD4DRD2DRD3MTORRPTOR
SCHEMBL20157478 0.89 DRD4 (0.45) DRD4DRD2DRD3MTORRPTOR
SCHEMBL20157090 0.88 DRD4 (0.47) DRD4DRD2DRD3MTORRPTOR
SCHEMBL20157033 0.88 MTOR (0.47) DRD4DRD2DRD3MTORRPTOR
SCHEMBL20140126 0.87 MTOR (0.53) DRD4DRD2DRD3MTORRPTOR
Hydrochloric Acid SCHEMBL20140671 0.86 MTOR (0.52) DRD4DRD2DRD3MTORRPTOR
SCHEMBL20140839 0.85 POLB (0.46) DRD4DRD2DRD3MTORRPTOR
SCHEMBL20140200 0.85 MTOR (0.59) DRD4DRD2DRD3MTORRPTOR
SCHEMBL20157267 0.84 DRD4 (0.52) DRD4DRD2DRD3MTORRPTOR
SCHEMBL20141432 0.83 MTOR (0.50) DRD4DRD2DRD3MTORRPTOR

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