SCHEMBL8873228

SCHEMBL8873228

Cc1cc2[nH]c(=O)c(=O)cnc2c([N+](=O)[O-])c1C

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.59
▸ KMT2A Q03164 3/20 0.59
▸ GRIN2D O15399 10/20 0.57
▸ GRIN3B O60391 10/20 0.57
▸ GRIN1 Q05586 10/20 0.57
▸ GRIN2A Q12879 10/20 0.57
▸ GRIN2B Q13224 10/20 0.57
▸ GRIN2C Q14957 10/20 0.57
▸ GRIN3A Q8TCU5 10/20 0.57
▸ CYP1A2 P05177 2/20 0.39
▸ HPGD P15428 2/20 0.39
▸ LMNA P02545 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ GRIK1 P39086 1/20 0.39
▸ GRIA1 P42261 1/20 0.39
▸ GRIA2 P42262 1/20 0.39
▸ GRIA3 P42263 1/20 0.39
▸ GRIA4 P48058 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
SCHEMBL8873245 0.79 GRIN2D (0.58) MEN1KMT2AGRIN2DGRIN3BGRIN1
SCHEMBL8872922 0.78 GRIN2D (0.45) MEN1KMT2AGRIN2DGRIN3BGRIN1
SCHEMBL8872578 0.78 GRIN2D (0.45) MEN1KMT2AGRIN2DGRIN3BGRIN1
SCHEMBL8874377 0.78 GRIN2D (0.57) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL13186667 0.75 MEN1 (1.00) MEN1KMT2AGRIN2DGRIN3BGRIN1
SCHEMBL8873494 0.74 GRIN2D (0.60) MEN1KMT2AGRIN2DGRIN3BGRIN1
SCHEMBL7471983 0.73 GRIN2D (1.00) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL8873768 0.73 GRIN2D (0.51) MEN1KMT2AGRIN2DGRIN3BGRIN1
SCHEMBL8872838 0.72 MEN1 (0.56) MEN1KMT2AGRIN2DGRIN3BGRIN1
SCHEMBL8872581 0.72 GRIN2D (0.52) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5597922-A Glycine receptor antagonist pharmacophore STATE OF OREGON, ACTING BY AND THROUGH THE OREGON STATE BOARD OF HIGHER EDUCATION, ACTING FOR AND ON BEHALF OF THE OREGON HEALTH SCIENCES UNIVERSITY AND THE UNIVERSITY OF OREGON (US) 1997-01-28 — — US disclosed
WO-1996004288-A1 GLYCINE RECEPTOR ANTAGONIST PHARMACOPHORE STATE OF OREGON, ACTING BY AND THROUGH THE OREGON STATE BOARD OF HIGHER EDUCATION, ACTING FOR AND ON BEHALF OF THE OREGON HEALTH SCIENCES UNIVERSITY AND THE UNIVERSITY OF OREGON, EUGENE OREGON (US) 1996-02-15 — — WO disclosed
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