SCHEMBL20149898

SCHEMBL20149898

CSc1ccccc1N1CCN(C(=O)c2nc(NC3CCN(c4ccccc4C#N)CC3)c(C)cc2C)CC1

nearest known ligand 0.69

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MTOR P42345 10/20 0.69
RPTOR Q8N122 10/20 0.69
MLST8 Q9BVC4 10/20 0.69
GRM5 P41594 1/20 0.41
PHGDH O43175 1/20 0.41
HTR1A P08908 1/20 0.40
DRD2 P14416 1/20 0.40
TACR3 P29371 1/20 0.39
NAMPT P43490 1/20 0.39
GPR6 P46095 3/20 0.38
AR P10275 1/20 0.38
DRD4 P21917 1/20 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
SCHEMBL20150021 0.92 MTOR (0.70) MTORRPTORMLST8GRM5PHGDH
SCHEMBL22187975 0.85 MTOR (0.75) MTORRPTORMLST8GRM5PHGDH
SCHEMBL22693274 0.85 MTOR (0.67) MTORRPTORMLST8DRD2TACR3
SCHEMBL22693272 0.85 MTOR (0.67) MTORRPTORMLST8PHGDHGPR6
SCHEMBL20133657 0.85 MTOR (0.84) MTORRPTORMLST8GRM5PHGDH
SCHEMBL20133659 0.85 MTOR (0.74) MTORRPTORMLST8GRM5PHGDH
SCHEMBL20133676 0.85 MTOR (0.74) MTORRPTORMLST8GRM5PHGDH
SCHEMBL20133662 0.84 MTOR (0.65) MTORRPTORMLST8GRM5PHGDH
SCHEMBL22188079 0.83 MTOR (0.73) MTORRPTORMLST8GRM5PHGDH
SCHEMBL20133660 0.82 MTOR (0.72) MTORRPTORMLST8PHGDHGPR6

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-2018089499-A1 PHENYL AMINO PIPERIDINE mTORC INHIBITORS AND USES THEREOF NAVITOR PHARMACEUTICALS, INC. (US) 2018-05-17 WO disclosed