SCHEMBL20156887

SCHEMBL20156887

Cc1ccc(N2CCN(C(=O)c3cc(CN4CCN(c5ccccc5C#N)CC4)ccc3C)CC2)nc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.46
PPARA Q07869 1/20 0.46
MTOR P42345 3/20 0.46
RPTOR Q8N122 3/20 0.46
MLST8 Q9BVC4 3/20 0.46
DRD4 P21917 3/20 0.44
DRD2 P14416 2/20 0.44
DRD3 P35462 2/20 0.44
PARP1 P09874 1/20 0.43
KDM4E B2RXH2 4/20 0.42
HTT P42858 2/20 0.42
LMNA P02545 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ALDH1A1 P00352 4/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
HTR2A P28223 1/20 0.42
THPO P40225 1/20 0.42
HIF1A Q16665 1/20 0.42

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
SCHEMBL20140585 0.92 PPARG (0.47) PPARGPPARAMTORRPTORMLST8
SCHEMBL20139934 0.92 PPARG (0.47) PPARGMTORRPTORMLST8PARP1
SCHEMBL20140697 0.90 PPARA (0.49) PPARAMTORRPTORMLST8KDM4E
SCHEMBL20156888 0.90 PPARG (0.42) PPARGPPARADRD4DRD2DRD3
SCHEMBL20140044 0.89 MTOR (0.54) MTORRPTORMLST8DRD4DRD2
SCHEMBL20141182 0.85 PARP1 (0.48) MTORRPTORMLST8DRD2DRD3
SCHEMBL20156931 0.85 MTOR (0.51) MTORRPTORMLST8DRD4DRD2
SCHEMBL20140785 0.85 PARP1 (0.47) MTORRPTORMLST8PARP1KDM4E
SCHEMBL20156930 0.85 MTOR (0.46) MTORRPTORMLST8DRD4DRD2
SCHEMBL20140600 0.84 KDM4E (0.54) MTORRPTORMLST8DRD4DRD2

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