SCHEMBL8612845

SCHEMBL8612845

COC(=O)c1cccn1-c1cc2[nH]c(=O)c(=O)n(C3CCCCC3)c2cc1[N+](=O)[O-]

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 3/20 0.39
OPRL1 P41146 3/20 0.39
OPRD1 P41143 2/20 0.39
OPRK1 P41145 2/20 0.39
SIRT2 Q8IXJ6 1/20 0.39
GRIK1 P39086 2/20 0.37
GRIK2 Q13002 2/20 0.37
GRIK3 Q13003 2/20 0.37
GRIK4 Q16099 2/20 0.37
GRIK5 Q16478 2/20 0.37
GRIA1 P42261 1/20 0.37
GRIA2 P42262 1/20 0.37
GRIA3 P42263 1/20 0.37
GRIA4 P48058 1/20 0.37

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
SCHEMBL8610303 0.97 GRIK1 (0.41) OPRM1OPRL1OPRD1OPRK1GRIK1
SCHEMBL8609537 0.82 OPRL1 (0.41) OPRM1OPRL1OPRD1OPRK1GRIK1
SCHEMBL8612184 0.81 GRIA1 (0.53) GRIK1GRIK2GRIK3GRIK4GRIK5
SCHEMBL8611525 0.79 GRIK1 (0.57) OPRM1OPRL1OPRD1OPRK1GRIK1
SCHEMBL8673142 0.78 GRIK1 (0.43) OPRM1OPRL1OPRD1OPRK1SIRT2
SCHEMBL8672915 0.76 GRIK1 (0.39) OPRM1OPRL1GRIK1GRIK2GRIK3
SCHEMBL8612108 0.75 GRIK1 (0.50) GRIK1GRIK2GRIK3GRIK4GRIK5
SCHEMBL8611345 0.75 GRIK1 (0.57) GRIK1GRIK2GRIK3GRIK4GRIK5
SCHEMBL8675868 0.75 GRIA1 (0.53) GRIK1GRIK2GRIK3GRIK4GRIK5
SCHEMBL7486337 0.73 GRIK1 (0.43) OPRM1OPRL1GRIK1GRIK2GRIK3

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-5852017-A 2,3(1H,4H)-quinoxalinediones BASF AKTIENGESELLSCHAFT (DE) 1998-12-22 US disclosed
EP-0572852-B1 Quinoxalin-2,3(1H,4H)-diones used as medicine BASF AG (DE) 1998-10-21 EP disclosed
US-5714489-A 2,3(1H,4H)quinoxalinedione BASF AKTIENGESELLSCHAFT (DE) 1998-02-03 US disclosed
EP-0572852-A1 Quinoxalin-2,3(1H,4H)-diones used as medicine BASF Aktiengesellschaft (DE) 1993-12-08 EP disclosed