SCHEMBL20139948

SCHEMBL20139948

COC(=O)c1nc(CN2CCN(c3ccccc3C#N)CC2)c(C)cc1C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 9/20 0.48
DRD2 P14416 6/20 0.48
DRD3 P35462 6/20 0.48
KDM4E B2RXH2 3/20 0.48
ALDH1A1 P00352 3/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
HTR2A P28223 1/20 0.48
THPO P40225 1/20 0.48
HIF1A Q16665 1/20 0.48
NPSR1 Q6W5P4 1/20 0.46
MTOR P42345 2/20 0.44
RPTOR Q8N122 2/20 0.44
MLST8 Q9BVC4 2/20 0.44
GMNN O75496 1/20 0.44
LMNA P02545 1/20 0.44
THRB P10828 1/20 0.44
PMP22 Q01453 1/20 0.44
HTR7 P34969 1/20 0.43

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
SCHEMBL20140750 0.89 DRD4 (0.48) DRD4DRD2DRD3KDM4EALDH1A1
SCHEMBL20140738 0.87 MTOR (0.54) DRD4DRD2DRD3KDM4EALDH1A1
SCHEMBL20141552 0.85 DRD4 (0.47) DRD4DRD2DRD3KDM4EALDH1A1
SCHEMBL20140616 0.85 DRD4 (0.45) DRD4DRD2DRD3KDM4EALDH1A1
SCHEMBL20157125 0.80 MTOR (0.48) DRD4DRD2DRD3KDM4EALDH1A1
SCHEMBL20140795 0.80 MTOR (0.58) DRD4DRD2KDM4EALDH1A1HTR2A
SCHEMBL20140347 0.80 DRD4 (0.50) DRD4DRD2DRD3KDM4EALDH1A1
SCHEMBL20157267 0.80 DRD4 (0.52) DRD4DRD2DRD3KDM4EALDH1A1
SCHEMBL20139984 0.79 DRD4 (0.46) DRD4DRD2DRD3KDM4EALDH1A1
SCHEMBL20157127 0.79 MTOR (0.49) DRD4DRD2DRD3KDM4EALDH1A1

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