SCHEMBL20157218

SCHEMBL20157218

C=C/C=C(/C)CC(OC)N1CCN(c2ccccc2C#N)CC1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 5/20 0.40
THRB P10828 1/20 0.39
DRD2 P14416 9/20 0.39
HTR1A P08908 4/20 0.39
HSP90AB1 P08238 1/20 0.38
DRD4 P21917 6/20 0.38
DRD3 P35462 3/20 0.38
HTR2A P28223 2/20 0.36
HRH1 P35367 1/20 0.36
DPP4 P27487 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
THPO P40225 1/20 0.36
HIF1A Q16665 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
SCHEMBL20157191 0.81 THRB (0.40) HTR7THRBDRD2HTR1AHSP90AB1
SCHEMBL20157179 0.76 HSP90AB1 (0.39) HTR7THRBDRD2HTR1AHSP90AB1
SCHEMBL20156862 0.73 DRD2 (0.45) HTR7THRBDRD2HTR1AHSP90AB1
SCHEMBL20156961 0.70 DRD2 (0.49) HTR7DRD2HTR1AHSP90AB1DRD4
SCHEMBL13898671 0.69 MC4R (0.51) HTR7DRD2HTR1AHSP90AB1DRD4
SCHEMBL3088832 0.68 DRD4 (0.54) HTR7DRD2HTR1ADRD4DRD3
SCHEMBL9118895 0.67 DRD2 (0.45) HTR7THRBDRD2HTR1AHSP90AB1
SCHEMBL14355275 0.67 HSP90AB1 (0.66) HTR7DRD2HTR1AHSP90AB1DRD3
SCHEMBL20156977 0.66 HTR7 (0.47) HTR7THRBDRD2HTR1ADRD4
SCHEMBL2077260 0.64 GRM5 (0.51) THRBDRD2HTR1ADRD4DRD3

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