SCHEMBL20156801

SCHEMBL20156801

Cc1cc(C)c(C(=O)N2CCN(c3ccccc3C#N)CC2)cc1CN1CC2CN(c3ccccc3C#N)CC2C1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTOR P42345 8/20 0.49
RPTOR Q8N122 8/20 0.49
MLST8 Q9BVC4 8/20 0.49
HCRTR1 O43613 1/20 0.45
HCRTR2 O43614 1/20 0.45
NAMPT P43490 1/20 0.43
DRD4 P21917 4/20 0.43
DRD2 P14416 2/20 0.43
DRD3 P35462 2/20 0.43
GRM1 Q13255 1/20 0.42
GRM5 P41594 1/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
HTR2A P28223 1/20 0.41
THPO P40225 1/20 0.41
HIF1A Q16665 1/20 0.41
HTR7 P34969 1/20 0.41

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
SCHEMBL20140617 0.93 MTOR (0.49) MTORRPTORMLST8HCRTR1HCRTR2
SCHEMBL20140200 0.90 MTOR (0.59) MTORRPTORMLST8NAMPTDRD4
SCHEMBL20141637 0.87 MTOR (0.54) MTORRPTORMLST8NAMPTDRD4
SCHEMBL20140342 0.87 MTOR (0.56) MTORRPTORMLST8DRD4DRD2
SCHEMBL20139962 0.87 MTOR (0.55) MTORRPTORMLST8NAMPTDRD4
SCHEMBL20156918 0.87 MTOR (0.55) MTORRPTORMLST8NAMPTDRD4
SCHEMBL20140235 0.86 MTOR (0.67) MTORRPTORMLST8DRD4DRD2
SCHEMBL20140824 0.86 MTOR (0.67) MTORRPTORMLST8DRD4DRD2
SCHEMBL20139928 0.86 MTOR (0.56) MTORRPTORMLST8DRD4DRD2
SCHEMBL20156824 0.86 MTOR (0.56) 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