SCHEMBL6661644

SCHEMBL6661644

O=[N+]([O-])c1cc[n+]([O-])c(NCCCCOc2ccccc2)c1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.50
DRD4 P21917 1/20 0.50
DRD3 P35462 1/20 0.50
MAPT P10636 6/20 0.48
MEN1 O00255 5/20 0.48
KMT2A Q03164 5/20 0.48
LMNA P02545 1/20 0.48
HTT P42858 1/20 0.48
ALDH1A1 P00352 2/20 0.46
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
MAPK1 P28482 2/20 0.41
CYP2D6 P10635 1/20 0.41

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
SCHEMBL6656820 0.96 DRD2 (0.54) DRD2DRD4DRD3MAPTMEN1
SCHEMBL6662302 0.88 MAPT (0.46) DRD2DRD4DRD3MAPTMEN1
SCHEMBL6660189 0.88 DRD2 (0.46) DRD2DRD4DRD3MAPTMEN1
SCHEMBL6657196 0.85 MEN1 (0.57) MAPTMEN1KMT2ALMNAHTT
SCHEMBL6658613 0.85 PPARG (0.46) DRD2DRD4DRD3MAPTMEN1
SCHEMBL6659471 0.85 MEN1 (0.47) DRD2DRD4DRD3MAPTMEN1
SCHEMBL6656984 0.85 MEN1 (0.51) DRD2DRD4DRD3MAPTMEN1
SCHEMBL6659197 0.85 MAPT (0.54) DRD2DRD4DRD3MAPTMEN1
SCHEMBL6662210 0.84 MAPT (0.56) DRD2DRD4DRD3MAPTMEN1
SCHEMBL6660181 0.82 HTR6 (0.46) DRD2DRD4DRD3MAPTMEN1

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