SCHEMBL7779818

SCHEMBL7779818

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 5/20 0.46
GRIN2D O15399 4/20 0.43
GRIN3B O60391 4/20 0.43
GRIN2A Q12879 4/20 0.43
GRIN2B Q13224 4/20 0.43
GRIN2C Q14957 4/20 0.43
GRIN3A Q8TCU5 4/20 0.43
GRIA1 P42261 1/20 0.42
GRIA2 P42262 1/20 0.42
GRIA3 P42263 1/20 0.42
GRIA4 P48058 1/20 0.42
CACNA1H O95180 7/20 0.41
CACNA1C Q13936 3/20 0.41
CACNA1B Q00975 2/20 0.41
HSD17B10 Q99714 2/20 0.40
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
GAA P10253 1/20 0.39
GPR17 Q13304 1/20 0.38
CACNA1G O43497 2/20 0.37

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
SCHEMBL8873491 0.93 GRIN1 (0.41) GRIN1GRIN2DGRIN3BGRIN2AGRIN2B
SCHEMBL2418890 0.85 CACNA1H (0.41) CACNA1HCACNA1CCACNA1BGPR17CACNA1G
SCHEMBL5974273 0.83 GRIN1 (0.60) GRIN1GRIN2DGRIN3BGRIN2AGRIN2B
SCHEMBL8873571 0.82 GRIN1 (0.38) GRIN1GRIA1GRIA2GRIA3GRIA4
SCHEMBL8873575 0.82 GRIN1 (0.38) GRIN1GRIA1GRIA2GRIA3GRIA4
SCHEMBL10285831 0.81 GRIN1 (0.47) GRIN1GRIN2DGRIN3BGRIN2AGRIN2B
SCHEMBL4706825 0.81 GRIN1 (0.47) GRIN1GRIN2DGRIN3BGRIN2AGRIN2B
SCHEMBL4707609 0.80 GRIN1 (0.46) GRIN1GRIN2DGRIN3BGRIN2AGRIN2B
SCHEMBL8609931 0.80 GRIN1 (0.45) GRIN1GRIN2DGRIN3BGRIN2AGRIN2B
SCHEMBL2639004 0.80 GRIN1 (0.59) 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 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
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
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