SCHEMBL9570575

SCHEMBL9570575

O=[N+]([O-])c1ccc(OCCCOc2ccc([N+](=O)[O-])cc2)cc1

nearest known ligand 0.65

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.65
DRD4 P21917 1/20 0.65
DRD3 P35462 1/20 0.65
HRH3 Q9Y5N1 1/20 0.61
KCNH2 Q12809 4/20 0.60
MAPT P10636 4/20 0.58
ALDH1A1 P00352 2/20 0.58
LTA4H P09960 1/20 0.57
PTGS1 P23219 1/20 0.57
PTGS2 P35354 1/20 0.57
CRHBP P24387 1/20 0.56
CRHR2 Q13324 1/20 0.56
MEN1 O00255 1/20 0.56
KMT2A Q03164 1/20 0.56
LMNA P02545 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56

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
SCHEMBL10558691 0.94 HRH3 (0.69) DRD2DRD4DRD3HRH3KCNH2
SCHEMBL9570637 0.94 HRH3 (0.69) DRD2DRD4DRD3HRH3KCNH2
SCHEMBL10554981 0.94 HRH3 (0.69) DRD2DRD4DRD3HRH3KCNH2
SCHEMBL5390369 0.94 HRH3 (0.69) DRD2DRD4DRD3HRH3KCNH2
SCHEMBL10556391 0.94 HRH3 (0.69) DRD2DRD4DRD3HRH3KCNH2
SCHEMBL10559291 0.94 HRH3 (0.69) DRD2DRD4DRD3HRH3KCNH2
SCHEMBL9570561 0.94 HRH3 (0.69) DRD2DRD4DRD3HRH3KCNH2
SCHEMBL6228523 0.93 MAPT (0.65) DRD2DRD4DRD3HRH3KCNH2
SCHEMBL21331697 0.91 MAPT (0.57) DRD2DRD4DRD3HRH3KCNH2
SCHEMBL2565246 0.90 MAPT (0.67) DRD2DRD4DRD3HRH3KCNH2

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
EP-0533933-A1 BISHETEROCYCLIC COMPOUND YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1993-03-31 EP disclosed