SCHEMBL4707609

SCHEMBL4707609

O=c1[nH]c2cc(Br)cc(C(F)(F)F)c2[nH]c1=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 7/20 0.46
GRIN2D O15399 6/20 0.46
GRIN3B O60391 6/20 0.46
GRIN2A Q12879 6/20 0.46
GRIN2B Q13224 6/20 0.46
GRIN2C Q14957 6/20 0.46
GRIN3A Q8TCU5 6/20 0.46
GRIA1 P42261 2/20 0.41
GRIA2 P42262 2/20 0.41
GRIA3 P42263 2/20 0.41
GRIA4 P48058 2/20 0.41
HSD17B10 Q99714 2/20 0.39
MEN1 O00255 1/20 0.39
CYP2C9 P11712 1/20 0.39
GRIK1 P39086 1/20 0.39
KMT2A Q03164 1/20 0.39
GRIK2 Q13002 1/20 0.39
GRIK3 Q13003 1/20 0.39
GRIK4 Q16099 1/20 0.39
GRIK5 Q16478 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
SCHEMBL7779818 0.80 GRIN1 (0.46) GRIN1GRIN2DGRIN3BGRIN2AGRIN2B
SCHEMBL4706825 0.80 GRIN1 (0.47) GRIN1GRIN2DGRIN3BGRIN2AGRIN2B
SCHEMBL4707291 0.79 GRIN1 (0.59) GRIN1GRIN2DGRIN3BGRIN2AGRIN2B
SCHEMBL7788001 0.79 GRIN1 (0.61) GRIN1GRIN2DGRIN3BGRIN2AGRIN2B
SCHEMBL7779764 0.76 GRIA1 (0.43) GRIN1GRIN2DGRIN3BGRIN2AGRIN2B
SCHEMBL7786866 0.76 GRIA1 (0.43) GRIN1GRIN2DGRIN3BGRIN2AGRIN2B
SCHEMBL462721 0.76 GRIN1 (0.50) GRIN1GRIN2DGRIN3BGRIN2AGRIN2B
SCHEMBL2638792 0.75 GRIN1 (0.53) GRIN1GRIN2DGRIN3BGRIN2AGRIN2B
SCHEMBL8873491 0.74 GRIN1 (0.41) GRIN1GRIN2DGRIN3BGRIN2AGRIN2B
SCHEMBL5973665 0.73 GRIN1 (0.64) GRIN1GRIN2DGRIN3BGRIN2AGRIN2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0647137-B1 GLYCINE RECEPTOR ANTAGONISTS AND THE USE THEREOF UNIV CALIFORNIA (US) 2008-08-13 EP disclosed
US-5622952-A NERVOUS SYSTEM DISORDERS; ADMINISTERING 1,4-DIHYDROQUINOXALINE-2,3-DIONE 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) 1997-04-22 US disclosed
US-5620979-A TREATING NEURONAL LOSS ASSOCIATED WITH STROKE, ISCHEMIA, CENTRAL NERVOUS SYSTEM TRAUMA, HYPOGLYCEMIA OR SURGERY 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) 1997-04-15 US disclosed
US-5514680-A ANTICONVULSANTS WITH 5,6,7-TRISUBSTITUTED-1,4-DIHYDROQUINOXALINE-2,3-DIONE THE 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 (US) 1996-05-07 US disclosed
WO-1994000124-A1 GLYCINE RECEPTOR ANTAGONISTS AND THE USE THEREOF WEBER ECKARD (US) 1994-01-06 WO disclosed