SCHEMBL8109569

SCHEMBL8109569

CCOP(=O)(Cn1c(=O)c(=O)[nH]c2cc(C(F)(F)F)c(N3CCCCC3)cc21)OCC

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GRIA1 P42261 11/20 0.44
GRIA2 P42262 11/20 0.44
GRIA3 P42263 11/20 0.44
GRIA4 P48058 11/20 0.44
GRIK1 P39086 6/20 0.43
GRIK2 Q13002 6/20 0.43
GRIK3 Q13003 6/20 0.43
GRIK4 Q16099 6/20 0.43
GRIK5 Q16478 6/20 0.43
GRIN2D O15399 1/20 0.39
GRIN3B O60391 1/20 0.39
GRIN1 Q05586 1/20 0.39
GRIN2A Q12879 1/20 0.39
GRIN2B Q13224 1/20 0.39
GRIN2C Q14957 1/20 0.39
GRIN3A Q8TCU5 1/20 0.39
LMNA P02545 1/20 0.36
TP53 P04637 1/20 0.36
MAPT P10636 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
SCHEMBL8114495 1.00 GRIA1 (0.44) GRIA1GRIA2GRIA3GRIA4GRIK1
SCHEMBL8341491 0.91 GRIA1 (0.43) GRIA1GRIA2GRIA3GRIA4GRIK1
SCHEMBL8107335 0.85 GRIA1 (0.53) GRIA1GRIA2GRIA3GRIA4GRIK1
SCHEMBL8122798 0.85 GRIA1 (0.53) GRIA1GRIA2GRIA3GRIA4GRIK1
SCHEMBL8107468 0.82 GRIA1 (0.43) GRIA1GRIA2GRIA3GRIA4GRIK1
SCHEMBL8345084 0.81 GRIA1 (0.37) GRIA1GRIA2GRIA3GRIA4GRIK1
SCHEMBL8180598 0.78 GRIA1 (0.43) GRIA1GRIA2GRIA3GRIA4GRIK1
SCHEMBL8092046 0.76 GRIA1 (0.41) GRIA1GRIA2GRIA3GRIA4GRIK1
SCHEMBL8117314 0.76 GRIA1 (0.38) GRIA1GRIA2GRIA3GRIA4GRIK1
SCHEMBL8618755 0.76 ALDH1A1 (0.36) LMNATP53MAPT

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 3 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 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