SCHEMBL7307200

SCHEMBL7307200

Nc1c[n+]([O-])c2c(c1[N+](=O)[O-])CCCC2

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.31
GRIN2D O15399 1/20 0.30
GRIN3B O60391 1/20 0.30
GRIN1 Q05586 1/20 0.30
GRIN2A Q12879 1/20 0.30
GRIN2B Q13224 1/20 0.30
GRIN2C Q14957 1/20 0.30
GRIN3A Q8TCU5 1/20 0.30

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
SCHEMBL10377637 0.82 ALDH1A1 (0.36) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL23783059 0.81 MAPT (0.31) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL7303101 0.79 MAPT (0.31)
SCHEMBL2245003 0.68 GRIN2D (0.41) ACHEGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL23792116 0.67 GRIN2D (0.30) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL9449722 0.67 MAPT (0.38) ACHE
SCHEMBL13006229 0.67 GRIN2D (0.40) ACHEGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL9671688 0.65 GRIN2D (0.48) ACHEGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL2245425 0.65 GRIN2D (0.44) ACHEGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL4733588 0.63 HTR2A (0.36)

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0556008-B1 Condensed imidazopyridine derivatives with psychotropic activity SHIONOGI & CO (JP) 1997-05-14 EP disclosed
US-5461062-A Psychotropic agent as antianxiety agent, anesthesia antagonistic agent SHIONOGI & CO., LTD. (JP) 1995-10-24 US disclosed
US-5378848-A Benzodiazepine agonist, psychotropic, antianxiety, cerebral function activator, anesthesia atagonist SHIONOGI & CO., LTD. (JP) 1995-01-03 US disclosed
EP-0556008-A1 Condensed imidazopyridine derivatives with psychotropic activity SHIONOGI & CO., LTD. (JP) 1993-08-18 EP disclosed