SCHEMBL20140042

SCHEMBL20140042

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

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 9/20 0.51
MTOR P42345 4/20 0.49
RPTOR Q8N122 4/20 0.49
MLST8 Q9BVC4 4/20 0.49
DRD3 P35462 4/20 0.47
DRD4 P21917 2/20 0.43
RET P07949 1/20 0.42
HTR2A P28223 3/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
THPO P40225 1/20 0.42
HIF1A Q16665 1/20 0.42
HTR1A P08908 2/20 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
SCHEMBL20156849 0.90 MTOR (0.44) DRD2MTORRPTORMLST8DRD3
SCHEMBL20157262 0.90 MTOR (0.43) DRD2MTORRPTORMLST8DRD3
SCHEMBL20140200 0.86 MTOR (0.59) DRD2MTORRPTORMLST8DRD3
SCHEMBL20157360 0.86 MTOR (0.43) DRD2MTORRPTORMLST8DRD3
SCHEMBL20156918 0.83 MTOR (0.55) DRD2MTORRPTORMLST8DRD3
SCHEMBL20139962 0.83 MTOR (0.55) DRD2MTORRPTORMLST8DRD3
SCHEMBL20139928 0.82 MTOR (0.56) DRD2MTORRPTORMLST8DRD3
SCHEMBL20140824 0.82 MTOR (0.67) DRD2MTORRPTORMLST8DRD3
SCHEMBL20140235 0.82 MTOR (0.67) DRD2MTORRPTORMLST8DRD3
SCHEMBL20156824 0.82 MTOR (0.56) DRD2MTORRPTORMLST8DRD3

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