SCHEMBL7354969

SCHEMBL7354969

O=c1[nH]c2cc(C(F)(F)F)c(-n3ccnc3)cc2n(CP(=O)(O)O)c1=O

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GRIA1 P42261 5/20 0.54
GRIA2 P42262 5/20 0.54
GRIA3 P42263 5/20 0.54
GRIA4 P48058 5/20 0.54
GRIK1 P39086 2/20 0.54
GRIK2 Q13002 2/20 0.54
GRIK3 Q13003 2/20 0.54
GRIK4 Q16099 2/20 0.54
GRIK5 Q16478 2/20 0.54
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
SLC22A6 Q4U2R8 1/20 0.49
SLC22A8 Q8TCC7 1/20 0.49

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
SCHEMBL8180885 0.85 GRIA1 (0.76) GRIA1GRIA2GRIA3GRIA4GRIK1
SCHEMBL8203088 0.84 GRIA1 (0.54) GRIA1GRIA2GRIA3GRIA4GRIK1
SCHEMBL8117590 0.83 GRIA1 (0.55) GRIA1GRIA2GRIA3GRIA4GRIK1
SCHEMBL8201019 0.82 GRIA1 (0.52) GRIA1GRIA2GRIA3GRIA4GRIK1
SCHEMBL7352040 0.81 SLC22A6 (0.74) GRIA1GRIA2GRIA3GRIA4GRIK1
Bromide SCHEMBL8201265 0.81 GRIA1 (0.51) GRIA1GRIA2GRIA3GRIA4GRIK1
SCHEMBL8346010 0.80 GRIA1 (0.55) GRIA1GRIA2GRIA3GRIA4GRIK1
Sulfuric Acid SCHEMBL8206134 0.80 GRIA1 (0.50) GRIA1GRIA2GRIA3GRIA4GRIK1
SCHEMBL8201053 0.79 GRIA1 (0.49) GRIA1GRIA2GRIA3GRIA4GRIK1
SCHEMBL8340533 0.79 SLC22A6 (0.68) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6288065-B1 CENTRAL NERVOUS SYSTEM DISORDERS; PARKINSON*S AND ALZHEIMER*S DISEASE SCHERING AKTIENGESEELLSCHAFT (DE) 2001-09-11 US disclosed
US-6057304-A Quinoxaline-phosphonic acid derivatives SCHERING AKTIENGESELLSCHAFT (DE) 2000-05-02 US disclosed