SCHEMBL20140902

SCHEMBL20140902

Cc1ccc(CN2CCN(c3ccccc3C#N)CC2)cc1CCl

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 2/20 0.48
DRD4 P21917 8/20 0.46
DRD2 P14416 6/20 0.46
DRD3 P35462 3/20 0.46
KDM4E B2RXH2 2/20 0.46
ALDH1A1 P00352 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
HTR2A P28223 1/20 0.46
THPO P40225 1/20 0.46
HIF1A Q16665 1/20 0.46
HTR1A P08908 1/20 0.46
POLB P06746 1/20 0.45
MTOR P42345 1/20 0.43
RPTOR Q8N122 1/20 0.43
MLST8 Q9BVC4 1/20 0.43
ALOX15 P16050 1/20 0.43
TSHR P16473 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
SCHEMBL20141745 0.92 DRD4 (0.49) HTR7DRD4DRD2DRD3KDM4E
SCHEMBL20140759 0.85 KDM4E (0.56) HTR7DRD4DRD2DRD3KDM4E
SCHEMBL20140770 0.83 ALDH1A1 (0.51) HTR7DRD4DRD2DRD3KDM4E
SCHEMBL20141481 0.83 KDM4E (0.51) HTR7DRD4DRD2DRD3KDM4E
SCHEMBL20156995 0.80 TRPC5 (0.46) HTR7DRD4DRD2DRD3KDM4E
SCHEMBL20139955 0.80 KDM4E (0.52) HTR7DRD4DRD2DRD3KDM4E
SCHEMBL2328515 0.79 DRD4 (0.59) HTR7DRD4DRD2DRD3
SCHEMBL20140731 0.79 DRD4 (0.54) HTR7DRD4DRD2DRD3KDM4E
SCHEMBL20140640 0.78 KDM4E (0.56) HTR7DRD4DRD2DRD3KDM4E
SCHEMBL20140044 0.78 MTOR (0.54) HTR7DRD4DRD2DRD3KDM4E

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