SCHEMBL20140044

SCHEMBL20140044

Cc1ccc(CN2CCN(c3ccccc3C#N)CC2)cc1C(=O)N1CCN(c2ccccc2C#N)CC1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTOR P42345 4/20 0.54
RPTOR Q8N122 4/20 0.54
MLST8 Q9BVC4 4/20 0.54
KDM4E B2RXH2 3/20 0.50
ALDH1A1 P00352 3/20 0.50
NPSR1 Q6W5P4 1/20 0.50
PARP1 P09874 1/20 0.49
DRD4 P21917 5/20 0.48
DRD2 P14416 3/20 0.48
DRD3 P35462 2/20 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
HTT P42858 1/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
TACR3 P29371 1/20 0.46

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
SCHEMBL20156931 0.95 MTOR (0.51) MTORRPTORMLST8KDM4EALDH1A1
SCHEMBL20139909 0.92 LMNA (0.52) MTORRPTORMLST8KDM4EALDH1A1
SCHEMBL20140587 0.92 MTOR (0.54) MTORRPTORMLST8KDM4EALDH1A1
SCHEMBL20140693 0.92 HCRTR1 (0.49) MTORRPTORMLST8KDM4EALDH1A1
SCHEMBL20140716 0.91 MTOR (0.53) MTORRPTORMLST8KDM4EALDH1A1
SCHEMBL20139930 0.91 MTOR (0.53) MTORRPTORMLST8KDM4EALDH1A1
SCHEMBL20140600 0.91 KDM4E (0.54) MTORRPTORMLST8KDM4EALDH1A1
SCHEMBL20157539 0.90 MTOR (0.46) MTORRPTORMLST8KDM4EALDH1A1
SCHEMBL20156887 0.89 PPARG (0.46) MTORRPTORMLST8KDM4EALDH1A1
SCHEMBL20156930 0.89 MTOR (0.46) MTORRPTORMLST8KDM4EALDH1A1

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