SCHEMBL7787986

SCHEMBL7787986

Cc1cc2[nH]c(=O)c(=O)[nH]c2c(C(F)(F)F)c1C

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 15/20 0.51
GRIN2D O15399 14/20 0.51
GRIN3B O60391 14/20 0.51
GRIN2A Q12879 14/20 0.51
GRIN2B Q13224 14/20 0.51
GRIN2C Q14957 14/20 0.51
GRIN3A Q8TCU5 14/20 0.51
HSD17B10 Q99714 2/20 0.50
GRIA1 P42261 1/20 0.40
GRIA2 P42262 1/20 0.40
GRIA3 P42263 1/20 0.40
GRIA4 P48058 1/20 0.40
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
GAA P10253 1/20 0.37
THRB P10828 1/20 0.36

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
SCHEMBL5974273 0.77 GRIN1 (0.60) GRIN1GRIN2DGRIN3BGRIN2AGRIN2B
SCHEMBL7787979 0.75 GRIA1 (0.46) GRIN1GRIN2DGRIN3BGRIN2AGRIN2B
SCHEMBL7779746 0.74 GRIN1 (0.54) GRIN1GRIN2DGRIN3BGRIN2AGRIN2B
SCHEMBL7787722 0.72 GRIN1 (0.45) GRIN1GRIN2DGRIN3BGRIN2AGRIN2B
SCHEMBL7787728 0.72 GRIN1 (0.62) GRIN1GRIN2DGRIN3BGRIN2AGRIN2B
SCHEMBL7786719 0.72 GRIN1 (0.55) GRIN1GRIN2DGRIN3BGRIN2AGRIN2B
SCHEMBL7779917 0.71 GRIN1 (0.65) GRIN1GRIN2DGRIN3BGRIN2AGRIN2B
SCHEMBL7784707 0.71 GRIN1 (0.47) GRIN1GRIN2DGRIN3BGRIN2AGRIN2B
SCHEMBL7784666 0.71 GRIA1 (0.43) GRIN1GRIN2DGRIN3BGRIN2AGRIN2B
SCHEMBL7779764 0.71 GRIA1 (0.43) 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 4 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