SCHEMBL7786927

SCHEMBL7786927

N#Cc1c(Cl)c([N+](=O)[O-])cc2[nH]c(=O)c(=O)[nH]c12

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 12/20 0.59
GRIN3B O60391 12/20 0.59
GRIN1 Q05586 12/20 0.59
GRIN2A Q12879 12/20 0.59
GRIN2B Q13224 12/20 0.59
GRIN2C Q14957 12/20 0.59
GRIN3A Q8TCU5 12/20 0.59
GRIA1 P42261 6/20 0.56
GRIA2 P42262 6/20 0.56
GRIA3 P42263 6/20 0.56
GRIA4 P48058 6/20 0.56
MAPT P10636 3/20 0.56
CYP1A2 P05177 2/20 0.56
ALOX15 P16050 2/20 0.56
GRIK1 P39086 3/20 0.51
GRIK2 Q13002 3/20 0.51
GRIK3 Q13003 3/20 0.51
GRIK4 Q16099 3/20 0.51
GRIK5 Q16478 3/20 0.51
HPGD P15428 2/20 0.51

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
SCHEMBL7786601 0.79 GRIN2D (0.74) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL7351656 0.79 GRIN1 (0.62) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL7786503 0.76 GRIN2D (0.46) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL3686797 0.75 GRIN2D (1.00) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL7350067 0.72 GRIN2D (0.66) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL30905563 0.72 GRIA2 (1.00) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL1662279 0.72 GRIA2 (1.00) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL9747072 0.71 GRIN2D (0.63) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
Dnqx SCHEMBL594575 0.70 GRIA2 (1.00) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL7345165 0.70 GRIN1 (0.59) 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6251903-B1 Alkyl, azido, alkoxy, and fluoro-substituted and fused quinoxalinediones and the use thereof as glycine receptor antagonist COCENSYS, INC. 2001-06-26 US disclosed
US-6147075-A ANALGESICS; PSYCHOLOGICAL DISORDERS COCENSYS, INC. (US) 2000-11-14 US disclosed
EP-0732942-A4 ALKYL, AZIDO, ALKOXY, AND FLUORO-SUBSTITUTED AND FUSED QUINOXALINEDIONES AND THE USE THEREOF AS GLYCINE RECEPTOR ANTAGONISTS COCENSYS INC (US) 2000-03-22 EP disclosed
US-5977107-A Alkyl, azido, alkoxy, and fluoro-substituted and fused quinoxalinediones and the use thereof as glycine receptor antagonists COCENSYS, INC. (US) 1999-11-02 US disclosed
US-5631373-A NERVOUS SYSTEM DISORDERS 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) 1997-05-20 US disclosed
EP-0732942-A1 ALKYL, AZIDO, ALKOXY, AND FLUORO-SUBSTITUTED AND FUSED QUINOXALINEDIONES AND THE USE THEREOF AS GLYCINE RECEPTOR ANTAGONISTS ACEA PHARMACEUTICALS, INC. (US) 1996-09-25 EP disclosed
WO-1995012417-A1 ALKYL, AZIDO, ALKOXY, AND FLUORO-SUBSTITUTED AND FUSED QUINOXALINEDIONES AND THE USE THEREOF AS GLYCINE RECEPTOR ANTAGONISTS ACEA PHARMACEUTICALS, INC. (US) 1995-05-11 WO disclosed