SCHEMBL7779726

SCHEMBL7779726

O=C(On1c(=O)c(=O)[nH]c2ccccc21)On1c(=O)c(=O)[nH]c2ccccc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIA1 P42261 2/20 0.47
GRIA2 P42262 2/20 0.47
GRIA3 P42263 2/20 0.47
GRIA4 P48058 2/20 0.47
PARP1 P09874 1/20 0.45
DAO P14920 1/20 0.43
KDM4E B2RXH2 3/20 0.41
GRIN2D O15399 1/20 0.41
GRIN3B O60391 1/20 0.41
GRIN1 Q05586 1/20 0.41
GRIN2A Q12879 1/20 0.41
GRIN2B Q13224 1/20 0.41
GRIN2C Q14957 1/20 0.41
GRIN3A Q8TCU5 1/20 0.41
OPRM1 P35372 2/20 0.40
OPRD1 P41143 2/20 0.40
OPRK1 P41145 2/20 0.40
OPRL1 P41146 2/20 0.40
POLB P06746 3/20 0.40
ADORA3 P0DMS8 3/20 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
SCHEMBL29028648 0.74 HSD17B10 (0.43) GRIA1GRIA2GRIA3GRIA4POLB
SCHEMBL9093169 0.74 PARP1 (0.42) GRIA1GRIA2GRIA3GRIA4PARP1
SCHEMBL7349965 0.73 DAO (0.66) GRIA1GRIA2GRIA3GRIA4PARP1
SCHEMBL28823746 0.72 GRIA1 (0.52) GRIA1GRIA2GRIA3GRIA4PARP1
SCHEMBL4704534 0.71 GRIA2 (0.50) GRIA1GRIA2GRIA3GRIA4PARP1
SCHEMBL31236110 0.69 PARP1 (0.52) GRIA1GRIA2GRIA3GRIA4PARP1
SCHEMBL2639618 0.69 PARP1 (0.52) GRIA1GRIA2GRIA3GRIA4PARP1
SCHEMBL22292519 0.69 PARP1 (0.52) GRIA1GRIA2GRIA3GRIA4PARP1
SCHEMBL29580191 0.69 PSMB8 (0.55) GRIA1GRIA2GRIA3GRIA4PARP1
SCHEMBL17874917 0.69 PARP1 (0.52) GRIA1GRIA2GRIA3GRIA4PARP1

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