SCHEMBL8609537

SCHEMBL8609537

COC(=O)c1cccn1-c1cc2c(cc1C(F)(F)F)[nH]c(=O)c(=O)n2C1CCCCC1

nearest known ligand 0.64

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 5/20 0.41
OPRM1 P35372 4/20 0.41
GRIA1 P42261 4/20 0.41
GRIA2 P42262 4/20 0.41
GRIA3 P42263 4/20 0.41
GRIA4 P48058 4/20 0.41
OPRD1 P41143 3/20 0.40
OPRK1 P41145 3/20 0.40
GRIK1 P39086 2/20 0.40
GRIK2 Q13002 2/20 0.40
GRIK3 Q13003 2/20 0.40
GRIK4 Q16099 2/20 0.40
GRIK5 Q16478 2/20 0.40

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 0.84 GRIK1 (0.41) OPRL1OPRM1GRIA1GRIA2GRIA3
SCHEMBL8612845 0.82 OPRM1 (0.39) OPRL1OPRM1GRIA1GRIA2GRIA3
SCHEMBL8610066 0.80 GRIA1 (0.52) GRIA1GRIA2GRIA3GRIA4GRIK1
SCHEMBL8608735 0.78 GRIA1 (0.56) OPRL1OPRM1GRIA1GRIA2GRIA3
SCHEMBL8611338 0.72 OPRL1 (0.52) OPRL1OPRM1OPRD1OPRK1
SCHEMBL8609291 0.69 OPRL1 (0.48) OPRL1OPRM1OPRD1OPRK1
SCHEMBL8672915 0.68 GRIK1 (0.39) OPRL1OPRM1GRIA1GRIA2GRIA3
SCHEMBL550225 0.68 OPRM1 (0.60) OPRL1OPRM1OPRD1OPRK1
SCHEMBL8612127 0.68 OPRL1 (0.46) OPRL1OPRM1GRIA1GRIA2GRIA3
SCHEMBL8721284 0.67 GRIA1 (0.57) GRIA1GRIA2GRIA3GRIA4GRIK1

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