SCHEMBL20140725

SCHEMBL20140725

Cc1cc(C)c(C(=O)N2CCN(c3ccccc3C#N)CC2)cc1CN1CCN(c2ccccc2C#N)CC1=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTOR P42345 6/20 0.47
RPTOR Q8N122 6/20 0.47
MLST8 Q9BVC4 6/20 0.47
NAMPT P43490 1/20 0.43
DPP4 P27487 2/20 0.42
DRD4 P21917 3/20 0.41
DRD2 P14416 2/20 0.41
DRD3 P35462 2/20 0.41
PARP1 P09874 1/20 0.41
TRPC5 Q9UL62 1/20 0.41
THRB P10828 1/20 0.41
ALDH1A1 P00352 2/20 0.40
TACR3 P29371 1/20 0.40
KDM4E B2RXH2 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
HTR2A P28223 1/20 0.39
THPO P40225 1/20 0.39
HIF1A Q16665 1/20 0.39

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
SCHEMBL20140103 0.91 MTOR (0.46) MTORRPTORMLST8NAMPTDPP4
SCHEMBL20140667 0.89 TRPC5 (0.42) MTORRPTORMLST8DPP4DRD4
SCHEMBL20139967 0.89 NAMPT (0.48) MTORRPTORMLST8NAMPTDPP4
SCHEMBL20140513 0.87 DRD4 (0.41) DPP4DRD4DRD2DRD3TRPC5
SCHEMBL20140096 0.87 PARP1 (0.45) MTORRPTORMLST8NAMPTDRD4
SCHEMBL20140200 0.86 MTOR (0.59) MTORRPTORMLST8NAMPTDRD4
SCHEMBL20139945 0.84 MTOR (0.49) MTORRPTORMLST8NAMPTDRD4
SCHEMBL20156918 0.83 MTOR (0.55) MTORRPTORMLST8NAMPTDRD4
SCHEMBL20139962 0.83 MTOR (0.55) MTORRPTORMLST8NAMPTDRD4
SCHEMBL20141373 0.83 MTOR (0.49) 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