SCHEMBL20156830

SCHEMBL20156830

Cc1cc(C)c(C(=O)N2CCN(c3ccc4[nH]ccc4c3)CC2)cc1CN1CCN(c2ccccc2C#N)CC1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MTOR P42345 6/20 0.51
RPTOR Q8N122 6/20 0.51
MLST8 Q9BVC4 6/20 0.51
MAPK14 Q16539 3/20 0.47
TACR3 P29371 1/20 0.41
DRD4 P21917 3/20 0.40
DRD2 P14416 1/20 0.40
DRD3 P35462 1/20 0.40
HTR7 P34969 1/20 0.39
FAAH O00519 1/20 0.39
PARP1 P09874 1/20 0.39

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
SCHEMBL20156948 0.95 MTOR (0.51) MTORRPTORMLST8MAPK14TACR3
SCHEMBL20156829 0.88 MTOR (0.43) MTORRPTORMLST8MAPK14
SCHEMBL20140200 0.87 MTOR (0.59) MTORRPTORMLST8TACR3DRD4
SCHEMBL20156943 0.87 GAA (0.49) MTORRPTORMLST8MAPK14DRD4
SCHEMBL20140824 0.86 MTOR (0.67) MTORRPTORMLST8DRD4DRD2
SCHEMBL20140235 0.86 MTOR (0.67) MTORRPTORMLST8DRD4DRD2
SCHEMBL20156813 0.85 MTOR (0.47) MTORRPTORMLST8MAPK14TACR3
Trifluoroacetic Acid SCHEMBL20140975 0.84 CHRM4 (0.42) MTORRPTORMLST8MAPK14
Trifluoroacetic Acid SCHEMBL20140974 0.84 CHRM4 (0.42) MTORRPTORMLST8MAPK14
SCHEMBL20156918 0.84 MTOR (0.55) MTORRPTORMLST8TACR3DRD4

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