SCHEMBL6586718

SCHEMBL6586718

CCOC(=O)C1CN(Cc2ccccc2)CCC1n1c(=O)[nH]c2ccccc21

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 9/20 0.57
OPRK1 P41145 1/20 0.57
OPRL1 P41146 1/20 0.57
SLC18A2 Q05940 7/20 0.51
SLC6A3 Q01959 4/20 0.51
CHRM2 P08172 1/20 0.50
CHRM4 P08173 1/20 0.50
CHRM5 P08912 1/20 0.50
CHRM1 P11229 1/20 0.50
CHRM3 P20309 1/20 0.50
KDM4E B2RXH2 1/20 0.48
ALDH1A1 P00352 1/20 0.48
PMP22 Q01453 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
HTR2A P28223 2/20 0.47

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
SCHEMBL6586061 0.85 OPRL1 (0.58) OPRM1OPRK1OPRL1SLC18A2SLC6A3
SCHEMBL4916517 0.85 OPRL1 (0.58) OPRM1OPRK1OPRL1SLC18A2SLC6A3
SCHEMBL6590145 0.82 CHRM2 (0.46) OPRM1OPRK1OPRL1SLC18A2SLC6A3
SCHEMBL6585954 0.81 OPRL1 (0.51) OPRM1OPRK1OPRL1SLC18A2SLC6A3
SCHEMBL11214141 0.81 OPRM1 (0.67) OPRM1OPRK1OPRL1
SCHEMBL8660256 0.81 OPRM1 (0.67) OPRM1OPRK1OPRL1
SCHEMBL11199617 0.81 OPRM1 (0.67) OPRM1OPRK1OPRL1
SCHEMBL8660825 0.81 OPRM1 (0.67) OPRM1OPRK1OPRL1
SCHEMBL6583996 0.81 OPRM1 (0.67) OPRM1OPRK1OPRL1
SCHEMBL7746945 0.80 OPRL1 (0.56) OPRM1OPRK1OPRL1SLC18A2SLC6A3

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0990653-B1 2-OXOIMIDAZOLE DERIVATIVES BANYU PHARMA CO LTD (JP) 2004-09-15 EP disclosed
US-6258825-B1 ANALGESIC, A RELIEVER AGAINST TOLERANCE TO A NARCOTIC ANALGESIC REPRESENTED BY MORPHINE, REMEDY FOR PARKINSONISM, A REMEDY FOR CHOREA, AN ANTIDEPRESSANT, A REMEDY FOR DIABETES INSIPIDUS, A REMEDY FOR POLYURIA, OR HYPOTENSION BANYU PHARMACEUTICAL CO., LTD. (JP) 2001-07-10 US disclosed
EP-0990653-A1 2-OXOIMIDAZOLE DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 2000-04-05 EP disclosed