SCHEMBL8196324

SCHEMBL8196324

CCOC(=O)CCCCCn1c(=O)c(=O)[nH]c2cc([N+](=O)[O-])c(F)cc21

nearest known ligand 0.63

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 4/20 0.63
GRIK2 Q13002 4/20 0.63
GRIK3 Q13003 3/20 0.63
GRIK4 Q16099 3/20 0.63
GRIK5 Q16478 3/20 0.63
GRIA1 P42261 2/20 0.50
GRIA2 P42262 2/20 0.50
GRIA3 P42263 2/20 0.50
GRIA4 P48058 2/20 0.50
TNF P01375 1/20 0.43

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
SCHEMBL30661076 0.96 GRIK1 (0.65) GRIK1GRIK2GRIK3GRIK4GRIK5
SCHEMBL8190512 0.96 GRIK1 (0.65) GRIK1GRIK2GRIK3GRIK4GRIK5
SCHEMBL8191679 0.92 GRIK1 (0.73) GRIK1GRIK2GRIK3GRIK4GRIK5
SCHEMBL8191865 0.87 GRIK1 (0.49) GRIK1GRIK2GRIK3GRIK4GRIK5
SCHEMBL7802413 0.86 GRIA1 (0.64) GRIK1GRIK2GRIK3GRIK4GRIK5
SCHEMBL8191795 0.85 GRIK1 (0.60) GRIK1GRIK2GRIK3GRIK4GRIK5
SCHEMBL8192778 0.82 GRIA1 (0.61) GRIK1GRIK2GRIK3GRIK4GRIK5
SCHEMBL8181056 0.81 GRIK1 (0.70) GRIK1GRIK2GRIK3GRIK4GRIK5
SCHEMBL7353360 0.81 GRIK1 (0.59) GRIK1GRIK2GRIK3GRIK4GRIK5
SCHEMBL8292029 0.80 GRIK1 (0.50) GRIK1GRIK2GRIK3GRIK4GRIK5

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
CN-1067387-C 1,2,3,4-tetrahydroquinoxalindione derivative YAMANOUCHI PHARMA CO LTD (JP) 2001-06-20 CN disclosed
US-6096743-A 1,2,3,4-tetrahydroquinoxalinedione derivative YAMANOUCHI PHARMACEUTICALS CO., LTD. (JP) 2000-08-01 US disclosed
CN-1168670-A 1,2,3,4-tetrahydroquinoxalindione derivative YAMANOUCHI PHARMA CO LTD (JP) 1997-12-24 CN disclosed
EP-0784054-A1 1,2,3,4-TETRAHYDROQUINOXALINEDIONE DERIVATIVE YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1997-07-16 EP disclosed