SCHEMBL8612151

SCHEMBL8612151

Nc1cc2[nH]c(=O)c(=O)n(C3CCCCC3)c2cc1[N+](=O)[O-]

nearest known ligand 0.69

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 6/20 0.48
OPRM1 P35372 5/20 0.48
SIRT2 Q8IXJ6 1/20 0.48
OPRD1 P41143 4/20 0.46
OPRK1 P41145 4/20 0.46
ALDH1A1 P00352 1/20 0.39

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
SCHEMBL8612024 0.95 OPRL1 (0.48) OPRL1OPRM1SIRT2OPRD1OPRK1
SCHEMBL7486015 0.86 OPRL1 (0.48) OPRL1OPRM1SIRT2OPRD1OPRK1
SCHEMBL9395606 0.83 OPRL1 (0.48) OPRL1OPRM1SIRT2OPRD1OPRK1
SCHEMBL8609291 0.83 OPRL1 (0.48) OPRL1OPRM1SIRT2OPRD1OPRK1
SCHEMBL8608985 0.83 OPRL1 (0.46) OPRL1OPRM1SIRT2OPRD1OPRK1
SCHEMBL8611525 0.82 GRIK1 (0.57) OPRL1OPRM1OPRD1OPRK1
SCHEMBL8611345 0.80 GRIK1 (0.57)
SCHEMBL9395620 0.78 SIRT2 (0.77) OPRL1OPRM1SIRT2OPRD1OPRK1
SCHEMBL7481411 0.78 OPRL1 (0.52) OPRL1OPRM1OPRD1OPRK1ALDH1A1
SCHEMBL7476479 0.76 OPRL1 (0.65) OPRL1OPRM1OPRD1OPRK1ALDH1A1

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