SCHEMBL20156997

SCHEMBL20156997

Cc1cc(C)c(C(=O)N2CCN(c3ccc(F)cn3)CC2)cc1CN1CCC(c2ccccc2C#N)CC1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MTOR P42345 5/20 0.44
RPTOR Q8N122 5/20 0.44
MLST8 Q9BVC4 5/20 0.44
PRKAA2 P54646 2/20 0.42
FASN P49327 2/20 0.40
PPARG P37231 1/20 0.40
DRD4 P21917 1/20 0.40
SLC27A1 Q6PCB7 1/20 0.40
HSD11B1 P28845 1/20 0.40
PARP1 P09874 1/20 0.39
KDM4E B2RXH2 1/20 0.39
LMNA P02545 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
RET P07949 5/20 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
SCHEMBL20156964 0.89 MTOR (0.49) MTORRPTORMLST8PRKAA2PPARG
SCHEMBL20141367 0.88 RET (0.42) DRD4RET
SCHEMBL20141707 0.86 MTOR (0.47) MTORRPTORMLST8PRKAA2FASN
SCHEMBL20140057 0.82 MTOR (0.51) MTORRPTORMLST8FASNDRD4
SCHEMBL20157050 0.82 MTOR (0.55) MTORRPTORMLST8FASNKDM4E
SCHEMBL20139878 0.81 PRKAA2 (0.43) MTORRPTORMLST8PRKAA2PPARG
SCHEMBL20139989 0.79 MTOR (0.49) MTORRPTORMLST8DRD4PARP1
SCHEMBL20140070 0.79 MTOR (0.47) MTORRPTORMLST8PPARGPARP1
SCHEMBL20140046 0.79 MTOR (0.47) MTORRPTORMLST8PPARGPARP1
SCHEMBL20140048 0.79 MTOR (0.47) MTORRPTORMLST8PPARGPARP1

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