SCHEMBL8107840

SCHEMBL8107840

O=c1[nH]c2cc([N+](=O)[O-])c(N3CCOCC3)cc2n(CP(=O)(O)O)c1=O

nearest known ligand 0.68

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GRIA1 P42261 3/20 0.50
GRIA2 P42262 3/20 0.50
GRIA3 P42263 3/20 0.50
GRIA4 P48058 3/20 0.50
GRIN2D O15399 1/20 0.50
GRIN3B O60391 1/20 0.50
GRIN1 Q05586 1/20 0.50
GRIN2A Q12879 1/20 0.50
GRIN2B Q13224 1/20 0.50
GRIN2C Q14957 1/20 0.50
GRIN3A Q8TCU5 1/20 0.50
GRIK1 P39086 5/20 0.48
GRIK2 Q13002 5/20 0.48
GRIK3 Q13003 5/20 0.48
GRIK4 Q16099 4/20 0.48
GRIK5 Q16478 4/20 0.48
SLC22A6 Q4U2R8 1/20 0.45
SLC22A8 Q8TCC7 1/20 0.45

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
SCHEMBL8344895 0.96 GRIA1 (0.50) GRIA1GRIA2GRIA3GRIA4GRIN2D
SCHEMBL8342187 0.90 GRIK1 (0.50) GRIA1GRIA2GRIA3GRIA4GRIK1
SCHEMBL8115792 0.86 GRIK1 (0.46) GRIA1GRIA2GRIA3GRIA4GRIK1
SCHEMBL8342344 0.85 GRIK1 (0.42) GRIA1GRIA2GRIA3GRIA4GRIK1
SCHEMBL8108014 0.82 ALDH1A1 (0.40)
SCHEMBL8120416 0.82 GRIK1 (0.42) GRIA1GRIA2GRIA3GRIA4GRIK1
SCHEMBL8343088 0.81 GRIK1 (0.39) GRIA1GRIA2GRIA3GRIA4GRIN2D
Fanapanel SCHEMBL353357 0.81 GRIA1 (0.51) GRIA1GRIA2GRIA3GRIA4GRIN2D
Fanapanel SCHEMBL29352240 0.81 GRIA1 (0.51) GRIA1GRIA2GRIA3GRIA4GRIN2D
SCHEMBL8342457 0.81 GRIA1 (0.58) GRIA1GRIA2GRIA3GRIA4GRIN2D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0696288-B1 QUINOXALINDIONE DERIVATIVES, THEIR PREPARATION AND THEIR USE IN DRUGS SCHERING AG (DE) 2000-09-20 EP claimed
US-5955461-A Quinoxalinedione derivatives, their production and use in pharmaceutical agents SCHERING AKTIENGESELLSCHAFT (DE) 1999-09-21 US claimed
US-5750525-A Quinoxalinedione derivatives, their production and use in pharmaceutical agents SCHERING AKTIENGESELLSCHAFT (DE) 1998-05-12 US claimed
EP-0696288-B1 QUINOXALINDIONE DERIVATIVES, THEIR PREPARATION AND THEIR USE IN DRUGS SCHERING AG (DE) 2000-09-20 EP disclosed
EP-1002796-A2 Novel quinoxalindione derivatives, their production and use in medicaments Schering Aktiengesellschaft (DE) 2000-05-24 EP disclosed
US-5955461-A Quinoxalinedione derivatives, their production and use in pharmaceutical agents SCHERING AKTIENGESELLSCHAFT (DE) 1999-09-21 US disclosed
US-5750525-A Quinoxalinedione derivatives, their production and use in pharmaceutical agents SCHERING AKTIENGESELLSCHAFT (DE) 1998-05-12 US disclosed
EP-0696288-A1 QUINOXALINDIONE DERIVATIVES, THEIR PREPARATION AND THEIR USE IN DRUGS SCHERING AKTIENGESELLSCHAFT (DE) 1996-02-14 EP disclosed
WO-1994025469-A1 QUINOXALINDIONE DERIVATIVES, THEIR PREPARATION AND THEIR USE IN DRUGS SCHERING AKTIENGESELLSCHAFT (DE) 1994-11-10 WO disclosed