SCHEMBL7476479

SCHEMBL7476479

Nc1ccc2[nH]c(=O)c(=O)n(C3CCCCC3)c2c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 7/20 0.65
OPRM1 P35372 6/20 0.65
OPRD1 P41143 5/20 0.60
OPRK1 P41145 5/20 0.60
KDM4E B2RXH2 1/20 0.47
MEN1 O00255 1/20 0.47
RGS12 O14924 1/20 0.47
NPC1 O15118 1/20 0.47
USP2 O75604 1/20 0.47
HTT P42858 1/20 0.47
RAB9A P51151 1/20 0.47
KMT2A Q03164 1/20 0.47
KEAP1 Q14145 1/20 0.47
NFE2L2 Q16236 1/20 0.47
PGR P06401 3/20 0.46
CHRM2 P08172 1/20 0.45
CHRM4 P08173 1/20 0.45
CHRM1 P11229 1/20 0.45
CHRM3 P20309 1/20 0.45
ALDH1A1 P00352 1/20 0.44

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
SCHEMBL9395829 0.84 OPRM1 (0.64) OPRL1OPRM1OPRD1OPRK1PGR
SCHEMBL30910142 0.81 OPRL1 (0.86) OPRL1OPRM1OPRD1OPRK1CHRM2
SCHEMBL26092381 0.81 OPRL1 (0.86) OPRL1OPRM1OPRD1OPRK1CHRM2
SCHEMBL7481411 0.80 OPRL1 (0.52) OPRL1OPRM1OPRD1OPRK1PGR
SCHEMBL1270635 0.79 OPRM1 (0.74) OPRL1OPRM1OPRD1OPRK1CHRM2
SCHEMBL1272232 0.79 OPRL1 (1.00) OPRL1OPRM1OPRD1OPRK1PGR
SCHEMBL1271664 0.79 OPRM1 (0.74) OPRL1OPRM1OPRD1OPRK1PGR
SCHEMBL1271637 0.79 OPRM1 (0.74) OPRL1OPRM1OPRD1OPRK1CHRM2
SCHEMBL7488793 0.77 OPRM1 (0.56) OPRL1OPRM1OPRD1OPRK1KDM4E
SCHEMBL12029042 0.77 OPRM1 (0.84) OPRL1OPRM1OPRD1OPRK1CHRM2

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