SCHEMBL20157154

SCHEMBL20157154

Cc1cc(C)c(C(=O)N2CCN(c3ccccc3CCCN(O)C(=O)OC(C)(C)C)CC2)cc1CN1CCN(c2ccccc2C#N)CC1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MTOR P42345 5/20 0.45
RPTOR Q8N122 5/20 0.45
MLST8 Q9BVC4 5/20 0.45
HTR1A P08908 3/20 0.38
HTR2A P28223 3/20 0.38
DRD2 P14416 3/20 0.38
DRD4 P21917 3/20 0.38
DRD3 P35462 3/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
CLEC4M Q9H2X3 1/20 0.36
ALDH1A1 P00352 1/20 0.36
NAMPT P43490 1/20 0.36

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
SCHEMBL20157124 0.84 PPARG (0.42) MEN1KMT2ACLEC4MALDH1A1
SCHEMBL20156918 0.84 MTOR (0.55) MTORRPTORMLST8HTR2ADRD2
SCHEMBL20140200 0.84 MTOR (0.59) MTORRPTORMLST8HTR2ADRD2
SCHEMBL20139962 0.80 MTOR (0.55) MTORRPTORMLST8HTR2ADRD2
SCHEMBL20142546 0.80 MTOR (0.40) MTORRPTORMLST8HTR1AHTR2A
SCHEMBL20142371 0.80 MTOR (0.40) MTORRPTORMLST8HTR1AHTR2A
SCHEMBL20140042 0.80 DRD2 (0.51) MTORRPTORMLST8HTR1AHTR2A
SCHEMBL20156824 0.80 MTOR (0.56) MTORRPTORMLST8HTR2ADRD2
SCHEMBL20140235 0.80 MTOR (0.67) MTORRPTORMLST8HTR2ADRD2
SCHEMBL20139928 0.80 MTOR (0.56) MTORRPTORMLST8HTR2ADRD2

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