SCHEMBL20140698

SCHEMBL20140698

COC(=O)c1cccc(CN2CCN(c3ccccc3C#N)CC2)c1C#N

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR6 P46095 1/20 0.49
DRD4 P21917 8/20 0.48
DRD2 P14416 6/20 0.48
DRD3 P35462 6/20 0.48
ALDH1A1 P00352 4/20 0.48
KDM4E B2RXH2 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
MTOR P42345 1/20 0.47
RPTOR Q8N122 1/20 0.47
MLST8 Q9BVC4 1/20 0.47
LMNA P02545 2/20 0.46
HTR7 P34969 3/20 0.45
NPSR1 Q6W5P4 1/20 0.45
GMNN O75496 1/20 0.43
THRB P10828 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
SCHEMBL20139944 0.87 DRD4 (0.52) GPR6DRD4DRD2DRD3ALDH1A1
SCHEMBL20157267 0.82 DRD4 (0.52) GPR6DRD4DRD2DRD3ALDH1A1
SCHEMBL20140542 0.74 DRD4 (0.50) DRD4DRD2DRD3ALDH1A1KDM4E
SCHEMBL18997917 0.74 KDM4E (0.43) DRD4DRD2DRD3ALDH1A1KDM4E
SCHEMBL19002713 0.73 ALDH1A1 (0.46) ALDH1A1KDM4ECYP1A2LMNA
SCHEMBL20139948 0.72 DRD4 (0.48) DRD4DRD2DRD3ALDH1A1KDM4E
SCHEMBL16954479 0.72 ALDH1A1 (0.45) ALDH1A1KDM4ECYP1A2LMNA
SCHEMBL4520079 0.72 ALDH1A1 (0.68) DRD4DRD2DRD3ALDH1A1KDM4E
SCHEMBL28746194 0.72 ALDH1A1 (0.68) ALDH1A1KDM4ELMNAHTR7
SCHEMBL20140126 0.72 MTOR (0.53) DRD4DRD2DRD3ALDH1A1KDM4E

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