SCHEMBL20139990

SCHEMBL20139990

Cc1cc(C)c(C(=O)N2C3CCC2CN(c2ccccc2C#N)C3)cc1C=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTOR P42345 7/20 0.40
RPTOR Q8N122 7/20 0.40
MLST8 Q9BVC4 7/20 0.40
HCRTR1 O43613 1/20 0.37
HCRTR2 O43614 1/20 0.37
JAK2 O60674 1/20 0.37
JAK1 P23458 1/20 0.37
GRM1 Q13255 2/20 0.36
DRD4 P21917 4/20 0.35
DRD2 P14416 2/20 0.35
DRD3 P35462 2/20 0.35
FASN P49327 1/20 0.35
FFAR4 Q5NUL3 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
HTR2A P28223 1/20 0.34
THPO P40225 1/20 0.34

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
SCHEMBL20139970 0.94 GRM1 (0.39) MTORRPTORMLST8HCRTR1HCRTR2
SCHEMBL20157241 0.83 GRM1 (0.41) MTORRPTORMLST8HCRTR1HCRTR2
SCHEMBL20156791 0.82 MTOR (0.52) MTORRPTORMLST8HCRTR1HCRTR2
SCHEMBL20139868 0.81 MTOR (0.52) MTORRPTORMLST8DRD4DRD2
SCHEMBL20139980 0.76 MTOR (0.46) MTORRPTORMLST8HCRTR1HCRTR2
SCHEMBL30280978 0.75 FASN (0.52) DRD4FASNCYP2D6
SCHEMBL20140996 0.74 MTOR (0.44) MTORRPTORMLST8DRD4DRD2
SCHEMBL20139865 0.74 P2RX7 (0.48) MTORRPTORMLST8
SCHEMBL20139540 0.73 GRM1 (0.47) MTORRPTORMLST8GRM1DRD4
SCHEMBL20140694 0.73 MTOR (0.50) MTORRPTORMLST8ALDH1A1GRM5

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