SCHEMBL20141553

SCHEMBL20141553

COc1ccccc1N1CCN(C(=O)c2cc(CN3CCN(c4ccccc4C#N)CC3)c(C)cc2C)CC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 4/20 0.57
DRD4 P21917 3/20 0.57
DRD3 P35462 3/20 0.57
THRB P10828 1/20 0.57
HTR7 P34969 2/20 0.53
MTOR P42345 1/20 0.52
RPTOR Q8N122 1/20 0.52
MLST8 Q9BVC4 1/20 0.52
ALDH1A1 P00352 5/20 0.52
HTT P42858 4/20 0.52
MAPT P10636 4/20 0.52
KDM4E B2RXH2 4/20 0.50
LMNA P02545 3/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
TDP1 Q9NUW8 1/20 0.50
HTR2A P28223 1/20 0.49
HRH2 P25021 1/20 0.49
HRH1 P35367 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.49

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
SCHEMBL20140200 0.92 MTOR (0.59) DRD2DRD4DRD3THRBMTOR
SCHEMBL20139905 0.90 DRD2 (0.54) DRD2DRD4DRD3THRBHTR7
SCHEMBL20139962 0.89 MTOR (0.55) DRD2DRD4DRD3MTORRPTOR
SCHEMBL20156918 0.89 MTOR (0.55) DRD2DRD4DRD3MTORRPTOR
SCHEMBL20140235 0.88 MTOR (0.67) DRD2DRD4DRD3HTR7MTOR
SCHEMBL20139928 0.88 MTOR (0.56) DRD2DRD4DRD3MTORRPTOR
SCHEMBL20156824 0.88 MTOR (0.56) DRD2DRD4DRD3MTORRPTOR
SCHEMBL20140824 0.88 MTOR (0.67) DRD2DRD4DRD3HTR7MTOR
SCHEMBL20140246 0.87 MTOR (0.57) DRD2DRD4DRD3MTORRPTOR
SCHEMBL20140719 0.87 MTOR (0.57) DRD2DRD4DRD3MTORRPTOR

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