SCHEMBL8611525

SCHEMBL8611525

O=c1[nH]c2cc(-n3cccc3)c([N+](=O)[O-])cc2n(C2CCCCC2)c1=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 3/20 0.57
GRIK2 Q13002 3/20 0.57
GRIK3 Q13003 3/20 0.57
GRIK4 Q16099 3/20 0.57
GRIK5 Q16478 3/20 0.57
GRIA1 P42261 2/20 0.57
GRIA2 P42262 2/20 0.57
GRIA3 P42263 2/20 0.57
GRIA4 P48058 2/20 0.57
OPRM1 P35372 2/20 0.47
OPRD1 P41143 2/20 0.47
OPRK1 P41145 2/20 0.47
OPRL1 P41146 2/20 0.47

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
SCHEMBL8611345 0.96 GRIK1 (0.57) GRIK1GRIK2GRIK3GRIK4GRIK5
SCHEMBL8609461 0.90 GRIK1 (0.61) GRIK1GRIK2GRIK3GRIK4GRIK5
SCHEMBL7486337 0.84 GRIK1 (0.43) GRIK1GRIK2GRIK3GRIK4GRIK5
SCHEMBL7486015 0.82 OPRL1 (0.48) OPRM1OPRD1OPRK1OPRL1
SCHEMBL8612151 0.82 OPRL1 (0.48) OPRM1OPRD1OPRK1OPRL1
SCHEMBL8611278 0.80 GRIK1 (0.47) GRIK1GRIK2GRIK3GRIK4GRIK5
SCHEMBL8610031 0.80 OPRL1 (0.50) GRIA1GRIA2GRIA3GRIA4OPRM1
SCHEMBL9395606 0.80 OPRL1 (0.48) GRIK1GRIK2GRIK3GRIK4GRIK5
SCHEMBL8612024 0.80 OPRL1 (0.48) GRIK1GRIK2GRIK3GRIK4GRIK5
SCHEMBL7665623 0.80 GRIA1 (0.66) 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
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