SCHEMBL6663513

SCHEMBL6663513

O=[N+]([O-])c1cc[n+]([O-])c(N2CCC(CCOc3cccc4ncccc34)CC2)c1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 14/20 0.41
MET P08581 2/20 0.41
WDR5 P61964 1/20 0.38
HTR1D P28221 2/20 0.38
HTR1B P28222 2/20 0.38
HTR7 P34969 6/20 0.37
DRD2 P14416 5/20 0.37
HTR2A P28223 5/20 0.37
HTR6 P50406 5/20 0.37
SLC6A4 P31645 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 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
SCHEMBL6660649 0.94 KDM1A (0.39) HTR1AMETWDR5HTR7DRD2
SCHEMBL6657550 0.85 HTR1A (0.40) HTR1AHTR1DHTR1BSMN1; SMN2
SCHEMBL6656020 0.85 MAPT (0.39) METDRD2HTR2ANPC1RAB9A
SCHEMBL6656969 0.83 SLC2A1 (0.38) HTR1AMETDRD2HTR2ASMN1; SMN2
SCHEMBL6660137 0.83 CYP2D6 (0.42) NPC1RAB9ASMN1; SMN2
SCHEMBL6656071 0.80 HTR7 (0.41) HTR1AHTR7DRD2HTR2AHTR6
SCHEMBL6658483 0.78 MAPT (0.45)
SCHEMBL6660658 0.78 CHRNB4 (0.43) HTR1AHTR7SMN1; SMN2
SCHEMBL6658785 0.77 CHRNB4 (0.44) HTR1AHTR7
SCHEMBL6657970 0.75 ACHE (0.39) DRD2NPC1RAB9ASMN1; SMN2

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