SCHEMBL8611285

SCHEMBL8611285

COC1(c2ccccc2)CCC(OC)(c2ccccc2)O1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 5/20 0.40
OPRL1 P41146 3/20 0.40
OPRK1 P41145 2/20 0.40
OPRD1 P41143 1/20 0.39
DPP4 P27487 1/20 0.36
SLC6A2 P23975 2/20 0.35
SLC6A4 P31645 2/20 0.35
PNMT P11086 1/20 0.34
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34
TAAR1 Q96RJ0 1/20 0.34

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
SCHEMBL16743054 0.78 CHRNB2 (0.36) OPRM1OPRL1OPRK1OPRD1DPP4
SCHEMBL2959502 0.71 SIGMAR1 (0.41) OPRM1OPRL1OPRK1OPRD1
SCHEMBL31367105 0.71 HTR1A (0.43) OPRM1OPRL1OPRK1OPRD1SLC6A2
SCHEMBL6764301 0.70 OPRM1 (0.31) OPRM1OPRL1OPRK1OPRD1SLC6A2
SCHEMBL13876257 0.70 OPRM1 (0.59) OPRM1OPRL1OPRK1OPRD1DPP4
SCHEMBL13444795 0.67 ALOX5 (0.54) OPRM1OPRL1OPRK1OPRD1
SCHEMBL10821867 0.67 OPRM1 (0.56) OPRM1OPRL1OPRK1OPRD1SLC6A2
SCHEMBL727037 0.67 MEN1 (0.35) OPRM1OPRL1OPRK1OPRD1
SCHEMBL14899046 0.67 OPRM1 (0.56) OPRM1OPRL1OPRK1OPRD1DPP4
SCHEMBL19435454 0.67 OPRM1 (0.37) OPRM1OPRL1OPRK1DPP4PNMT

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