SCHEMBL7486337

SCHEMBL7486337

O=Cc1ccn(-c2cc3[nH]c(=O)c(=O)n(C4CCCCC4)c3cc2[N+](=O)[O-])c1

nearest known ligand 0.72

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 3/20 0.43
GRIK2 Q13002 3/20 0.43
GRIK3 Q13003 3/20 0.43
GRIA1 P42261 5/20 0.42
GRIA2 P42262 5/20 0.42
GRIA3 P42263 5/20 0.42
GRIA4 P48058 5/20 0.42
GRIK4 Q16099 2/20 0.42
GRIK5 Q16478 2/20 0.42
OPRM1 P35372 1/20 0.42
OPRL1 P41146 1/20 0.42

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
SCHEMBL8611278 0.96 GRIK1 (0.47) GRIK1GRIK2GRIK3GRIA1GRIA2
SCHEMBL8609140 0.86 GRIA1 (0.50) GRIK1GRIK2GRIK3GRIA1GRIA2
SCHEMBL8609144 0.86 GRIA1 (0.50) GRIK1GRIK2GRIK3GRIA1GRIA2
SCHEMBL8611525 0.84 GRIK1 (0.57) GRIK1GRIK2GRIK3GRIA1GRIA2
SCHEMBL8674016 0.81 GRIA1 (0.64) GRIK1GRIK2GRIK3GRIA1GRIA2
SCHEMBL7665623 0.81 GRIA1 (0.66) GRIK1GRIK2GRIK3GRIA1GRIA2
SCHEMBL8610117 0.81 GRIK1 (0.46) GRIK1GRIK2GRIK3GRIA1GRIA2
SCHEMBL8611345 0.80 GRIK1 (0.57) GRIK1GRIK2GRIK3GRIA1GRIA2
SCHEMBL8609423 0.78 GRIA1 (0.65) GRIK1GRIK2GRIK3GRIA1GRIA2
SCHEMBL8672407 0.76 GRIK1 (0.69) GRIK1GRIK2GRIK3GRIA1GRIA2

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0799224-B1 QUINOXALINES AND DRUGS PREPARED THEREFROM BASF AG (DE) 2002-04-17 EP disclosed
US-5852017-A 2,3(1H,4H)-quinoxalinediones BASF AKTIENGESELLSCHAFT (DE) 1998-12-22 US disclosed
US-5849743-A Quinoxalines and drugs prepared therefrom BASF AKTIENGESELLSCHAFT (DE) 1998-12-15 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
WO-1996019476-A1 NOVEL QUINOXALINES AND DRUGS PREPARED THEREFROM BASF AKTIENGESELLSCHAFT (DE) 1996-06-27 WO disclosed
EP-0572852-A1 Quinoxalin-2,3(1H,4H)-diones used as medicine BASF Aktiengesellschaft (DE) 1993-12-08 EP disclosed