SCHEMBL20156833

SCHEMBL20156833

Cc1cccc(N2CC3CC(C2)N3C(=O)c2cc(CN3CCC(c4ccccc4C#N)CC3)c(C)cc2C)n1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 1/20 0.41
RET P07949 9/20 0.39
MTOR P42345 2/20 0.36
RPTOR Q8N122 2/20 0.36
MLST8 Q9BVC4 2/20 0.36
HCRTR1 O43613 2/20 0.34
HCRTR2 O43614 2/20 0.34
FASN P49327 1/20 0.34
PROKR1 Q8TCW9 1/20 0.33
C5AR1 P21730 1/20 0.33
PDE10A Q9Y233 1/20 0.33
ADRA1D P25100 1/20 0.33
ADRA1A P35348 1/20 0.33
ADRA1B P35368 1/20 0.33

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
SCHEMBL20141367 0.86 RET (0.42) DRD4RET
SCHEMBL20140482 0.77 DRD4 (0.51) DRD4MTORRPTORMLST8PROKR1
SCHEMBL20140777 0.77 DRD4 (0.43) DRD4MTORRPTORMLST8HCRTR1
SCHEMBL20140057 0.75 MTOR (0.51) DRD4MTORRPTORMLST8FASN
SCHEMBL20141538 0.74 DRD4 (0.41) DRD4MTORRPTORMLST8HCRTR1
SCHEMBL20139980 0.74 MTOR (0.46) DRD4RETMTORRPTORMLST8
SCHEMBL20141546 0.73 MTOR (0.47) DRD4MTORRPTORMLST8
SCHEMBL20156997 0.73 MTOR (0.44) DRD4RETMTORRPTORMLST8
SCHEMBL20156791 0.71 MTOR (0.52) DRD4MTORRPTORMLST8HCRTR1
SCHEMBL20140996 0.70 MTOR (0.44) DRD4MTORRPTORMLST8

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