SCHEMBL20158905

SCHEMBL20158905

COCCn1cc(CN2CCN(c3ccccc3C#N)CC2)cc1C(=O)N1CCN(c2ccccc2OC)CC1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 3/20 0.56
THRB P10828 1/20 0.51
MTOR P42345 1/20 0.51
RPTOR Q8N122 1/20 0.51
MLST8 Q9BVC4 1/20 0.51
DRD2 P14416 5/20 0.49
DRD4 P21917 2/20 0.49
DRD3 P35462 2/20 0.49
HTR2A P28223 2/20 0.48
POLB P06746 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.45
KMT2A Q03164 2/20 0.45
TACR3 P29371 1/20 0.45
MAPT P10636 2/20 0.45
MEN1 O00255 1/20 0.45
ALDH1A1 P00352 1/20 0.45
HTR1A P08908 1/20 0.45

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
SCHEMBL20158898 0.95 MTOR (0.55) HTR7THRBMTORRPTORMLST8
SCHEMBL20158901 0.91 MTOR (0.62) HTR7MTORRPTORMLST8DRD2
SCHEMBL20158902 0.79 MTOR (0.57) HTR7MTORRPTORMLST8DRD2
SCHEMBL20159021 0.79 CACNA1G (0.48) HTR7MTORRPTORMLST8POLB
SCHEMBL20159109 0.78 MTOR (0.50) HTR7MTORRPTORMLST8L3MBTL1
SCHEMBL20159123 0.77 MTOR (0.69) HTR7MTORRPTORMLST8DRD2
SCHEMBL20159036 0.77 MTOR (0.58) HTR7MTORRPTORMLST8DRD2
SCHEMBL20159116 0.77 MTOR (0.45) HTR7MTORRPTORMLST8POLB
SCHEMBL20141553 0.75 DRD2 (0.57) HTR7THRBMTORRPTORMLST8
SCHEMBL20159130 0.72 MTOR (0.51) HTR7MTORRPTORMLST8DRD2

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