SCHEMBL20156971

SCHEMBL20156971

Cc1ccc(CC2CCN(c3ccccc3C#N)CC2)cc1C=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM4 P08173 1/20 0.41
DRD4 P21917 5/20 0.38
HTT P42858 2/20 0.38
MAPT P10636 1/20 0.38
GFER P55789 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
DRD2 P14416 3/20 0.37
DRD3 P35462 2/20 0.37
HTR7 P34969 2/20 0.37
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 2/20 0.37
FFAR4 Q5NUL3 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
HTR2A P28223 1/20 0.37
THPO P40225 1/20 0.37
HIF1A Q16665 1/20 0.37
LMNA P02545 2/20 0.37
TSHR P16473 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
SCHEMBL20140336 0.82 MAPT (0.47) CHRM4DRD4HTTMAPTGFER
SCHEMBL20141292 0.79 BDKRB1 (0.47) CHRM4DRD4DRD2DRD3KDM4E
SCHEMBL15831837 0.72 FFAR4 (0.54) HTTMAPTGFERSMN1; SMN2FFAR4
SCHEMBL20140897 0.72 MTOR (0.45) HTTSMN1; SMN2KDM4EALDH1A1L3MBTL1
SCHEMBL31042529 0.71 CHRM4 (0.50) CHRM4DRD4MAPTDRD2DRD3
SCHEMBL20157033 0.71 MTOR (0.47) DRD4DRD2DRD3HTR7KDM4E
SCHEMBL20140782 0.71 CHRM4 (0.44) CHRM4DRD4MAPTDRD2DRD3
SCHEMBL20150043 0.71 MTOR (0.36) DRD4SMN1; SMN2DRD2DRD3HTR7
SCHEMBL20139954 0.70 POLB (0.45) HTTMAPTGFERKDM4EALDH1A1
SCHEMBL13622664 0.70 FFAR4 (0.56) CHRM4DRD4DRD2DRD3FFAR4

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