SCHEMBL20140585

SCHEMBL20140585

Cc1ccc(CN2CCN(c3ccccc3C#N)CC2)cc1C(=O)N1CCN(c2ccc(Cl)cn2)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.47
PPARD Q03181 1/20 0.47
PPARA Q07869 1/20 0.47
TACR3 P29371 1/20 0.47
MTOR P42345 3/20 0.44
RPTOR Q8N122 3/20 0.44
MLST8 Q9BVC4 3/20 0.44
USP2 O75604 1/20 0.44
TSHR P16473 1/20 0.44
RET P07949 5/20 0.43
DRD2 P14416 2/20 0.42
DRD4 P21917 2/20 0.42
DRD3 P35462 1/20 0.42
PARP1 P09874 2/20 0.42
TNK2 Q07912 1/20 0.42
TNK1 Q13470 1/20 0.42
MEN1 O00255 1/20 0.41
NPC1 O15118 1/20 0.41
MAPT P10636 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL20156887 0.92 PPARG (0.46) PPARGPPARAMTORRPTORMLST8
SCHEMBL20139934 0.90 PPARG (0.47) PPARGMTORRPTORMLST8RET
SCHEMBL20140697 0.89 PPARA (0.49) PPARAMTORRPTORMLST8RET
SCHEMBL20140044 0.88 MTOR (0.54) TACR3MTORRPTORMLST8DRD2
SCHEMBL20156931 0.87 MTOR (0.51) TACR3MTORRPTORMLST8USP2
SCHEMBL20141182 0.85 PARP1 (0.48) TACR3MTORRPTORMLST8DRD2
SCHEMBL20139930 0.85 MTOR (0.53) MTORRPTORMLST8USP2TSHR
SCHEMBL20140664 0.84 MTOR (0.57) TACR3MTORRPTORMLST8DRD2
SCHEMBL20156970 0.84 PRKAA2 (0.47) TACR3MTORRPTORMLST8RET
SCHEMBL20140785 0.83 PARP1 (0.47) MTORRPTORMLST8PARP1

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