SCHEMBL8067341

SCHEMBL8067341

COc1ccc(Cn2nc3ccccn3c2=O)cc1-c1cccc(NO)c1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 2/20 0.42
DRD2 P14416 2/20 0.42
HTR2A P28223 2/20 0.42
HTR6 P50406 2/20 0.42
HTR7 P34969 1/20 0.42
GPR139 Q6DWJ6 10/20 0.41
PDE4B Q07343 5/20 0.38
PDE4D Q08499 1/20 0.38
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
POLB P06746 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
SCHEMBL3807183 0.83 MAPT (0.44) HTR1ADRD2HTR2AHTR6HTR7
SCHEMBL7913026 0.79 PDE4B (0.43) HTR7PDE4BPDE4D
SCHEMBL8066070 0.77 HTT (0.57) KDM4ELMNAMAPTPOLB
SCHEMBL8064800 0.76 HTT (0.52) PDE4BPDE4DALDH1A1MAPT
SCHEMBL8068535 0.75 HDAC7 (0.49) PDE4BPDE4DALDH1A1
SCHEMBL8067208 0.75 GRM2 (0.48) ALDH1A1LMNAMAPTHPGD
SCHEMBL7904647 0.74 PDE4D (0.40) HTR7PDE4BPDE4DLMNAMAPT
SCHEMBL8054760 0.74 HDAC7 (0.55) PDE4BKDM4ELMNAMAPTHPGD
SCHEMBL8071515 0.73 HDAC7 (0.45) PDE4BPDE4DALDH1A1
SCHEMBL8066228 0.73 HTT (0.48) ALDH1A1MAPTHPGD

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-2009067600-A2 BIARYL PDE4 INHIBITORS FOR TREATING INFLAMMATION DECODE GENETICS EHF (IS) 2009-05-28 WO disclosed