SCHEMBL20159130

SCHEMBL20159130

Cn1cc(CN2CCN(c3ccccc3C#N)CC2)cc1C(=O)N1CCN(c2nnccc2C#N)CC1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MTOR P42345 5/20 0.51
RPTOR Q8N122 5/20 0.51
MLST8 Q9BVC4 5/20 0.51
HRH3 Q9Y5N1 2/20 0.43
DRD2 P14416 2/20 0.41
HTR7 P34969 2/20 0.41
HTR1A P08908 1/20 0.41
HTR2A P28223 1/20 0.41
TACR3 P29371 1/20 0.40
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
PKM P14618 1/20 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
SCHEMBL20159123 0.85 MTOR (0.69) MTORRPTORMLST8HRH3DRD2
SCHEMBL20159036 0.85 MTOR (0.58) MTORRPTORMLST8HRH3DRD2
SCHEMBL20159127 0.85 MTOR (0.62) MTORRPTORMLST8DRD2HTR7
SCHEMBL20139852 0.80 MTOR (0.49) MTORRPTORMLST8DRD2HTR2A
SCHEMBL20141859 0.80 MTOR (0.49) MTORRPTORMLST8DRD2HTR2A
SCHEMBL20157127 0.79 MTOR (0.49) MTORRPTORMLST8DRD2HTR2A
SCHEMBL20140083 0.79 MTOR (0.49) MTORRPTORMLST8DRD2HTR2A
SCHEMBL20159114 0.78 DRD2 (0.51) MTORRPTORMLST8HRH3DRD2
SCHEMBL20140597 0.77 MTOR (0.43) MTORRPTORMLST8DRD2TACR3
SCHEMBL20158994 0.76 MTOR (0.53) 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