SCHEMBL20141374

SCHEMBL20141374

Cc1cc(C)c(C(=O)N2CCN(c3ccnn3C)C[C@@H]2C)cc1CN1CCN(c2ccccc2C#N)CC1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MTOR P42345 6/20 0.46
RPTOR Q8N122 6/20 0.46
MLST8 Q9BVC4 6/20 0.46
GRM1 Q13255 1/20 0.41
CHRM4 P08173 3/20 0.39
DRD4 P21917 2/20 0.39
DRD2 P14416 1/20 0.39
DRD3 P35462 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
GPR6 P46095 1/20 0.38
HTR1A P08908 2/20 0.37
HTR2A P28223 2/20 0.37

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
SCHEMBL20141016 0.90 MTOR (0.53) MTORRPTORMLST8GRM1CHRM4
SCHEMBL20156832 0.86 MTOR (0.59) MTORRPTORMLST8GRM1CHRM4
SCHEMBL20141846 0.86 MTOR (0.59) MTORRPTORMLST8GRM1CHRM4
SCHEMBL20157052 0.85 MTOR (0.47) MTORRPTORMLST8GRM1CHRM4
SCHEMBL20140055 0.85 MTOR (0.46) MTORRPTORMLST8GRM1CHRM4
SCHEMBL20157381 0.83 MTOR (0.47) MTORRPTORMLST8GRM1CHRM4
SCHEMBL20140800 0.83 CHRM2 (0.53) MTORRPTORMLST8GRM1CHRM4
SCHEMBL20140914 0.82 MTOR (0.47) MTORRPTORMLST8GRM1CHRM4
SCHEMBL20156885 0.82 MTOR (0.47) MTORRPTORMLST8GRM1CHRM4
SCHEMBL20140046 0.82 MTOR (0.47) MTORRPTORMLST8GRM1CHRM4

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