SCHEMBL20157088

SCHEMBL20157088

Cc1cc(C)c(C(=O)N2CCN(c3cc(F)c(F)cc3C#N)CC2)cc1CCN1CCN(c2ccccc2C#N)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTOR P42345 6/20 0.49
RPTOR Q8N122 6/20 0.49
MLST8 Q9BVC4 6/20 0.49
HTR2A P28223 4/20 0.47
HTR2C P28335 3/20 0.47
KCNH2 Q12809 1/20 0.47
PARP1 P09874 1/20 0.46
DPP4 P27487 1/20 0.45
DRD4 P21917 3/20 0.43
DRD3 P35462 2/20 0.43
DRD2 P14416 1/20 0.43
HTR1A P08908 1/20 0.43
SLC6A2 P23975 1/20 0.42
HTR1D P28221 1/20 0.42
SLC6A4 P31645 1/20 0.42
HTR7 P34969 1/20 0.42
HTR2B P41595 1/20 0.42
TMEM97 Q5BJF2 1/20 0.42
SIGMAR1 Q99720 1/20 0.42
ALDH1A1 P00352 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
SCHEMBL20140753 0.93 MTOR (0.52) MTORRPTORMLST8HTR2ADRD4
SCHEMBL20140926 0.91 MTOR (0.54) MTORRPTORMLST8HTR2APARP1
SCHEMBL20141003 0.91 MTOR (0.54) MTORRPTORMLST8HTR2APARP1
SCHEMBL20141986 0.88 MTOR (0.48) MTORRPTORMLST8HTR2ADPP4
SCHEMBL20140350 0.85 MTOR (0.54) MTORRPTORMLST8HTR2AHTR2C
SCHEMBL20140760 0.84 MTOR (0.53) MTORRPTORMLST8PARP1DPP4
SCHEMBL20141543 0.84 MTOR (0.54) MTORRPTORMLST8PARP1DPP4
SCHEMBL20140200 0.83 MTOR (0.59) MTORRPTORMLST8HTR2APARP1
SCHEMBL20139971 0.83 DRD4 (0.50) MTORRPTORMLST8HTR2ADRD4
SCHEMBL20156834 0.82 MTOR (0.54) MTORRPTORMLST8PARP1DPP4

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