SCHEMBL8611567

SCHEMBL8611567

CS(=O)(=O)c1cc2[nH]c(=O)c(=O)n(C3CCCCC3)c2cc1-n1cccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 8/20 0.47
OPRM1 P35372 7/20 0.47
OPRD1 P41143 6/20 0.47
OPRK1 P41145 6/20 0.47
CCNE2 O96020 1/20 0.38
CCNE1 P24864 1/20 0.38
CDK2 P24941 1/20 0.38
ALDH1A1 P00352 1/20 0.36

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
SCHEMBL8610031 0.83 OPRL1 (0.50) OPRL1OPRM1OPRD1OPRK1
SCHEMBL8609511 0.81 OPRL1 (0.49) OPRL1OPRM1OPRD1OPRK1CCNE2
SCHEMBL8608735 0.80 GRIA1 (0.56) OPRL1OPRM1OPRD1OPRK1
SCHEMBL8611345 0.79 GRIK1 (0.57)
SCHEMBL8608985 0.78 OPRL1 (0.46) OPRL1OPRM1OPRD1OPRK1CCNE2
SCHEMBL8612127 0.78 OPRL1 (0.46) OPRL1OPRM1OPRD1OPRK1ALDH1A1
SCHEMBL8611525 0.77 GRIK1 (0.57) OPRL1OPRM1OPRD1OPRK1
SCHEMBL8611557 0.75 OPRM1 (0.54) OPRL1OPRM1OPRD1OPRK1ALDH1A1
SCHEMBL8609461 0.73 GRIK1 (0.61)
SCHEMBL1270554 0.71 OPRL1 (0.64) 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