SCHEMBL20139998

SCHEMBL20139998

Cc1cc(C)c(C(=O)O)cc1CN1CCN(c2ccccc2C#N)CC1(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 7/20 0.40
DRD2 P14416 4/20 0.40
DRD3 P35462 3/20 0.40
MTOR P42345 2/20 0.39
RPTOR Q8N122 2/20 0.39
MLST8 Q9BVC4 2/20 0.39
HTR2A P28223 3/20 0.39
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
THPO P40225 1/20 0.39
HIF1A Q16665 1/20 0.39
THRB P10828 2/20 0.37
GMNN O75496 1/20 0.37
LMNA P02545 1/20 0.37
PMP22 Q01453 1/20 0.37
HTR1A P08908 2/20 0.37
SLC6A9 P48067 1/20 0.37

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
SCHEMBL20139965 0.90 DRD4 (0.41) DRD4DRD2DRD3MTORRPTOR
SCHEMBL20140126 0.83 MTOR (0.53) DRD4DRD2DRD3MTORRPTOR
Hydrochloric Acid SCHEMBL20140671 0.83 MTOR (0.52) DRD4DRD2DRD3MTORRPTOR
SCHEMBL20141432 0.82 MTOR (0.50) DRD4DRD2DRD3MTORRPTOR
SCHEMBL20139971 0.80 DRD4 (0.50) DRD4DRD2DRD3MTORRPTOR
SCHEMBL20140043 0.79 CHRM2 (0.46) MTORRPTORMLST8ALDH1A1LMNA
SCHEMBL20140667 0.79 TRPC5 (0.42) DRD4DRD2DRD3MTORRPTOR
SCHEMBL20140941 0.78 GRM1 (0.46) DRD4DRD2DRD3MTORRPTOR
SCHEMBL20156945 0.78 MTOR (0.37) DRD4DRD2DRD3MTORRPTOR
SCHEMBL20157463 0.77 GRM1 (0.41) 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