SCHEMBL6656071

SCHEMBL6656071

O=[N+]([O-])c1cc[n+]([O-])c(N2CCC(CCOc3cccc4c3CCCC4)CC2)c1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 5/20 0.41
DRD2 P14416 4/20 0.41
HTR1A P08908 3/20 0.41
HTR6 P50406 3/20 0.41
S1PR5 Q9H228 3/20 0.39
SSTR4 P31391 1/20 0.38
HRH3 Q9Y5N1 2/20 0.36
CHRNB4 P30926 1/20 0.35
CHRNA3 P32297 1/20 0.35
ACHE P22303 2/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
HTR2A P28223 1/20 0.33

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
SCHEMBL6663513 0.80 HTR1A (0.41) HTR7DRD2HTR1AHTR6HTR2A
SCHEMBL6656020 0.79 MAPT (0.39) DRD2ACHEMEN1KMT2AHTR2A
SCHEMBL6658483 0.78 MAPT (0.45) HRH3CHRNB4CHRNA3ACHEMEN1
SCHEMBL6660658 0.78 CHRNB4 (0.43) HTR7HTR1ACHRNB4CHRNA3MEN1
SCHEMBL6658785 0.78 CHRNB4 (0.44) HTR7HTR1AHRH3CHRNB4CHRNA3
SCHEMBL6660649 0.77 KDM1A (0.39) HTR7DRD2HTR1AHTR6SSTR4
SCHEMBL6657550 0.76 HTR1A (0.40) HTR1AMEN1KMT2A
SCHEMBL6657970 0.76 ACHE (0.39) DRD2CHRNB4CHRNA3ACHEMEN1
SCHEMBL6656969 0.76 SLC2A1 (0.38) DRD2HTR1ACHRNB4CHRNA3ACHE
SCHEMBL6661589 0.76 LTA4H (0.41) DRD2HRH3CHRNB4CHRNA3ACHE

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-2004004715-A2 NOVEL DELTA OPIOID RECEPTOR LIGANDS GLAXOSMITHKLINE SPA (IT) 2004-01-15 WO disclosed