SCHEMBL6661589

SCHEMBL6661589

O=[N+]([O-])c1cc[n+]([O-])c(N2CCC(CCCOc3ccccc3)CC2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.41
PTGS2 P35354 1/20 0.41
CHRNB4 P30926 2/20 0.39
CHRNA3 P32297 2/20 0.39
DRD2 P14416 1/20 0.39
DRD4 P21917 1/20 0.39
DRD3 P35462 1/20 0.39
MAPT P10636 2/20 0.39
ACHE P22303 1/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
TMEM97 Q5BJF2 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
TEAD1 P28347 1/20 0.38
TEAD3 Q99594 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MEN1 O00255 1/20 0.38

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
SCHEMBL6658785 0.88 CHRNB4 (0.44) LTA4HPTGS2CHRNB4CHRNA3HRH3
SCHEMBL6661071 0.84 HRH3 (0.43) CHRNB4CHRNA3MAPTTEAD1TEAD3
SCHEMBL6658483 0.84 MAPT (0.45) LTA4HPTGS2CHRNB4CHRNA3MAPT
SCHEMBL6660658 0.84 CHRNB4 (0.43) LTA4HPTGS2CHRNB4CHRNA3MAPT
SCHEMBL6657367 0.83 HTR6 (0.42) LTA4HPTGS2ACHESIGMAR1HRH3
SCHEMBL6663521 0.83 ACHE (0.40) DRD2DRD4DRD3MAPTACHE
SCHEMBL6657190 0.81 KCNH2 (0.42) LTA4HPTGS2CHRNB4CHRNA3MAPT
SCHEMBL6657776 0.81 MAOB (0.48) CHRNB4CHRNA3ALDH1A1MEN1KMT2A
SCHEMBL6656594 0.80 ACHE (0.41) DRD2MAPTACHEKDM4EALDH1A1
SCHEMBL6656357 0.80 ALDH1A1 (0.44) CHRNB4CHRNA3MAPTKDM4EALDH1A1

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