SCHEMBL20156789

SCHEMBL20156789

Cc1cc(C)c(C(=O)N2CCN(c3cc(F)c(F)cc3C#N)CC2)cc1CN1CC2CCN(c3ccccc3C#N)CC1C2

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MTOR P42345 11/20 0.49
RPTOR Q8N122 11/20 0.49
MLST8 Q9BVC4 11/20 0.49
DPP4 P27487 1/20 0.41
PARP1 P09874 1/20 0.40
GRM5 P41594 1/20 0.38
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
TSHR P16473 1/20 0.36
HTT P42858 1/20 0.36
HSD11B1 P28845 1/20 0.35
GRM1 Q13255 1/20 0.35
TACR3 P29371 1/20 0.35

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
SCHEMBL20156834 0.87 MTOR (0.54) MTORRPTORMLST8DPP4PARP1
SCHEMBL20141003 0.84 MTOR (0.54) MTORRPTORMLST8DPP4PARP1
SCHEMBL20140926 0.84 MTOR (0.54) MTORRPTORMLST8DPP4PARP1
SCHEMBL20140996 0.81 MTOR (0.44) MTORRPTORMLST8DPP4PARP1
SCHEMBL20157088 0.79 MTOR (0.49) MTORRPTORMLST8DPP4PARP1
SCHEMBL20140721 0.79 GRM1 (0.45) MTORRPTORMLST8DPP4MAPT
SCHEMBL20157490 0.79 GRM1 (0.45) MTORRPTORMLST8DPP4MAPT
SCHEMBL20139904 0.79 MTOR (0.48) MTORRPTORMLST8DPP4PARP1
SCHEMBL20140350 0.79 MTOR (0.54) MTORRPTORMLST8PARP1LMNA
SCHEMBL20140760 0.78 MTOR (0.53) MTORRPTORMLST8DPP4PARP1

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