SCHEMBL20142001

SCHEMBL20142001

Cc1cc(C)c(C(=O)N2CCN(c3cccc4[nH]ccc34)C[C@@H]2C)cc1CN1CCN(c2ccccc2C#N)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTOR P42345 2/20 0.47
RPTOR Q8N122 2/20 0.47
MLST8 Q9BVC4 2/20 0.47
GAA P10253 6/20 0.45
MAPT P10636 3/20 0.45
DRD2 P14416 4/20 0.43
DRD3 P35462 4/20 0.43
DRD4 P21917 4/20 0.43
GRM1 Q13255 1/20 0.42
MEN1 O00255 1/20 0.40
GFER P55789 1/20 0.40
KMT2A Q03164 1/20 0.40
GOT1 P17174 3/20 0.39
ADRA1A P35348 1/20 0.39
RECQL P46063 1/20 0.39
LMNA P02545 1/20 0.38
HTT P42858 1/20 0.38
CHRM4 P08173 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38

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
SCHEMBL20142004 1.00 MTOR (0.47) MTORRPTORMLST8GAAMAPT
SCHEMBL20141016 0.90 MTOR (0.53) MTORRPTORMLST8DRD2DRD3
SCHEMBL20156943 0.88 GAA (0.49) MTORRPTORMLST8GAAMAPT
SCHEMBL20156947 0.87 MTOR (0.45) MTORRPTORMLST8GRM1CHRM4
SCHEMBL20156829 0.87 MTOR (0.43) MTORRPTORMLST8GRM1CHRM4
SCHEMBL20141846 0.86 MTOR (0.59) MTORRPTORMLST8DRD2DRD3
SCHEMBL20156832 0.86 MTOR (0.59) MTORRPTORMLST8DRD2DRD3
Trifluoroacetic Acid SCHEMBL20140975 0.83 CHRM4 (0.42) MTORRPTORMLST8CHRM4
Trifluoroacetic Acid SCHEMBL20140974 0.83 CHRM4 (0.42) MTORRPTORMLST8CHRM4
Trifluoroacetic Acid SCHEMBL20141710 0.83 MTOR (0.43) MTORRPTORMLST8CHRM4

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