SCHEMBL20157138

SCHEMBL20157138

Cc1cc(CCCN)c(C(=O)N2CCN(c3ccccc3C#N)CC2C)cc1CN1CCN(c2ccccc2C#N)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTOR P42345 3/20 0.49
RPTOR Q8N122 3/20 0.49
MLST8 Q9BVC4 3/20 0.49
GRM1 Q13255 1/20 0.45
CHRM4 P08173 5/20 0.42
CHRM2 P08172 1/20 0.40
DRD4 P21917 4/20 0.39
HTR2A P28223 3/20 0.39
DRD2 P14416 2/20 0.39
DRD3 P35462 2/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
THPO P40225 1/20 0.39
HIF1A Q16665 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
HTR1A P08908 2/20 0.37

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
SCHEMBL20157204 1.00 MTOR (0.49) MTORRPTORMLST8GRM1CHRM4
SCHEMBL20156980 1.00 MTOR (0.49) MTORRPTORMLST8GRM1CHRM4
Trifluoroacetic Acid SCHEMBL20139882 0.95 MTOR (0.47) MTORRPTORMLST8GRM1CHRM4
SCHEMBL20156955 0.93 MTOR (0.48) MTORRPTORMLST8GRM1CHRM4
SCHEMBL20140592 0.93 MTOR (0.48) MTORRPTORMLST8GRM1CHRM4
SCHEMBL20140650 0.93 MTOR (0.48) MTORRPTORMLST8GRM1CHRM4
SCHEMBL20140242 0.90 MTOR (0.46) MTORRPTORMLST8GRM1CHRM4
SCHEMBL20156876 0.90 MTOR (0.44) MTORRPTORMLST8GRM1CHRM4
SCHEMBL20156877 0.90 MTOR (0.44) MTORRPTORMLST8GRM1CHRM4
SCHEMBL20156856 0.90 MTOR (0.44) MTORRPTORMLST8GRM1CHRM4

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