SCHEMBL6659536

SCHEMBL6659536

CN(CCCOc1ccccc1)c1cc([N+](=O)[O-])cc[n+]1[O-]

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.49
CHRNA4 P43681 1/20 0.49
DRD2 P14416 1/20 0.43
DRD4 P21917 1/20 0.43
DRD3 P35462 1/20 0.43
MAPT P10636 4/20 0.43
ALDH1A1 P00352 2/20 0.43
MAPK1 P28482 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
KCNH2 Q12809 3/20 0.41
BCHE P06276 1/20 0.41
ACHE P22303 1/20 0.41
LMNA P02545 1/20 0.40
HTT P42858 1/20 0.40
CYP2D6 P10635 1/20 0.39

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
SCHEMBL6662488 0.80 ALDH1A1 (0.43) CHRNB2CHRNA4DRD3MAPTALDH1A1
SCHEMBL6656820 0.74 DRD2 (0.54) DRD2DRD4DRD3MAPTALDH1A1
SCHEMBL6661644 0.73 DRD2 (0.50) DRD2DRD4DRD3MAPTALDH1A1
SCHEMBL5821067 0.72 ALDH1A1 (0.41) MAPTALDH1A1MAPK1SMN1; SMN2KMT2A
SCHEMBL7038466 0.71 CHRNB2 (0.86) CHRNB2CHRNA4MAPTALDH1A1SMN1; SMN2
SCHEMBL13613864 0.70 ALDH1A1 (0.40) MAPTALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL6662302 0.69 MAPT (0.46) DRD2DRD4DRD3MAPTALDH1A1
SCHEMBL3977089 0.69 CHRNB2 (0.64) CHRNB2CHRNA4DRD2DRD4DRD3
SCHEMBL6752686 0.68 OPRM1 (0.42) MAPTALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL6661589 0.68 LTA4H (0.41) DRD2DRD4DRD3MAPTALDH1A1

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