SCHEMBL20141863

SCHEMBL20141863

Cc1cc(CN2CCN(c3ccccc3C#N)CC2)cc(C(=O)N2CCN(c3ccccc3C#N)CC2)c1C

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MTOR P42345 6/20 0.53
RPTOR Q8N122 6/20 0.53
MLST8 Q9BVC4 6/20 0.53
PARP1 P09874 1/20 0.48
DRD4 P21917 5/20 0.47
TACR3 P29371 1/20 0.47
DRD2 P14416 4/20 0.47
DRD3 P35462 2/20 0.47
KDM4E B2RXH2 2/20 0.47
ALDH1A1 P00352 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
HTR2A P28223 1/20 0.47
THPO P40225 1/20 0.47
HIF1A Q16665 1/20 0.47
HTR7 P34969 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
HTR1A P08908 1/20 0.44

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
SCHEMBL20157519 0.89 DRD4 (0.49) MTORRPTORMLST8DRD4DRD2
SCHEMBL20140044 0.88 MTOR (0.54) MTORRPTORMLST8PARP1DRD4
SCHEMBL20156931 0.84 MTOR (0.51) MTORRPTORMLST8PARP1DRD4
SCHEMBL20140200 0.82 MTOR (0.59) MTORRPTORMLST8PARP1DRD4
SCHEMBL20156786 0.81 MTOR (0.51) MTORRPTORMLST8PARP1DRD4
SCHEMBL20140569 0.81 MTOR (0.51) MTORRPTORMLST8PARP1DRD4
SCHEMBL20139909 0.81 LMNA (0.52) MTORRPTORMLST8PARP1DRD4
SCHEMBL20140693 0.81 HCRTR1 (0.49) MTORRPTORMLST8PARP1KDM4E
SCHEMBL20140587 0.81 MTOR (0.54) MTORRPTORMLST8PARP1KDM4E
SCHEMBL20139973 0.80 MTOR (0.57) MTORRPTORMLST8PARP1DRD4

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 2 patents. 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
WO-2018089433-A1 PHENYL mTORC INHIBITORS AND USES THEREOF NAVITOR PHARMACEUTICALS, INC. (US) 2018-05-17 WO disclosed