SCHEMBL8340446

SCHEMBL8340446

O=c1[nH]c2cc(C(F)(F)F)c(N3CCN(c4ccccc4)CC3)cc2n(CP(=O)(O)O)c1=O

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIA1 P42261 13/20 0.50
GRIA2 P42262 13/20 0.50
GRIA3 P42263 13/20 0.50
GRIA4 P48058 13/20 0.50
GRIK1 P39086 6/20 0.50
GRIK2 Q13002 6/20 0.50
GRIK3 Q13003 6/20 0.50
GRIK4 Q16099 6/20 0.50
GRIK5 Q16478 6/20 0.50
GRIN2D O15399 1/20 0.48
GRIN3B O60391 1/20 0.48
GRIN1 Q05586 1/20 0.48
GRIN2A Q12879 1/20 0.48
GRIN2B Q13224 1/20 0.48
GRIN2C Q14957 1/20 0.48
GRIN3A Q8TCU5 1/20 0.48
MEN1 O00255 1/20 0.41
POLB P06746 1/20 0.41
THRB P10828 1/20 0.41
TSHR P16473 1/20 0.41

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
SCHEMBL7088166 0.91 GRIA1 (0.47) GRIA1GRIA2GRIA3GRIA4GRIK1
SCHEMBL7088373 0.91 GRIA1 (0.45) GRIA1GRIA2GRIA3GRIA4GRIK1
Fanapanel SCHEMBL353357 0.87 GRIA1 (0.51) GRIA1GRIA2GRIA3GRIA4GRIK1
Fanapanel SCHEMBL29352240 0.87 GRIA1 (0.51) GRIA1GRIA2GRIA3GRIA4GRIK1
SCHEMBL8107335 0.87 GRIA1 (0.53) GRIA1GRIA2GRIA3GRIA4GRIK1
SCHEMBL8122798 0.87 GRIA1 (0.53) GRIA1GRIA2GRIA3GRIA4GRIK1
Fanapanel SCHEMBL25432377 0.86 GRIA1 (0.50) GRIA1GRIA2GRIA3GRIA4GRIK1
Fanapanel SCHEMBL30546194 0.86 GRIA1 (0.50) GRIA1GRIA2GRIA3GRIA4GRIK1
SCHEMBL8181851 0.80 GRIA1 (0.54) GRIA1GRIA2GRIA3GRIA4GRIK1
SCHEMBL8346010 0.79 GRIA1 (0.55) GRIA1GRIA2GRIA3GRIA4GRIK1

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-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
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