SCHEMBL20139831

SCHEMBL20139831

COCNC(=O)OCCCc1ccccc1N1CCN(Cc2cc(C(=O)N3CCN(c4ccccc4C)CC3)n(C)c2C)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTOR P42345 4/20 0.42
RPTOR Q8N122 4/20 0.42
MLST8 Q9BVC4 4/20 0.42
DRD3 P35462 4/20 0.40
DRD2 P14416 3/20 0.40
ADRA1A P35348 2/20 0.40
FAAH O00519 3/20 0.39
ALDH1A1 P00352 4/20 0.39
KDM4E B2RXH2 3/20 0.39
NPSR1 Q6W5P4 2/20 0.39
ADRA1D P25100 1/20 0.39
ADRA1B P35368 1/20 0.39
HTR1A P08908 1/20 0.39
HTR1D P28221 1/20 0.39
HTR1B P28222 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HTR7 P34969 1/20 0.38
MAPT P10636 2/20 0.38
LMNA P02545 1/20 0.38
HTT P42858 1/20 0.38

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
SCHEMBL20139352 0.79 MTOR (0.41) MTORRPTORMLST8ALDH1A1KDM4E
SCHEMBL20159096 0.76 MTOR (0.60) MTORRPTORMLST8DRD2HTR7
SCHEMBL20159082 0.71 MTOR (0.75) MTORRPTORMLST8DRD3DRD2
SCHEMBL20140555 0.69 MTOR (0.78) MTORRPTORMLST8DRD3DRD2
SCHEMBL20159141 0.68 MTOR (0.64) MTORRPTORMLST8DRD2ALDH1A1
SCHEMBL20159090 0.67 MTOR (0.71) MTORRPTORMLST8DRD3DRD2
SCHEMBL20139236 0.67 MTOR (0.68) MTORRPTORMLST8ALDH1A1HTR1A
SCHEMBL20159030 0.67 MTOR (0.62) MTORRPTORMLST8DRD2ALDH1A1
SCHEMBL20158992 0.67 MTOR (0.84) MTORRPTORMLST8DRD3DRD2
SCHEMBL20159033 0.67 MTOR (0.57) MTORRPTORMLST8HTR7

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-2018089493-A1 PYRROLE mTORC INHIBITORS AND USES THEREOF NAVITOR PHARMACEUTICALS, INC. (US) 2018-05-17 WO disclosed