SCHEMBL6585954

SCHEMBL6585954

CCOC(=O)C1CN(CC2CCCC3CCCCC32)CCC1n1c(=O)[nH]c2ccccc21

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 5/20 0.51
CHRM2 P08172 1/20 0.45
CHRM4 P08173 1/20 0.45
CHRM5 P08912 1/20 0.45
CHRM1 P11229 1/20 0.45
CHRM3 P20309 1/20 0.45
SLC18A2 Q05940 9/20 0.43
SLC6A3 Q01959 4/20 0.43
OPRM1 P35372 3/20 0.42
OPRK1 P41145 3/20 0.42
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 1/20 0.41
PMP22 Q01453 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
CCR5 P51681 1/20 0.41
HTR2A P28223 2/20 0.41
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
OPRD1 P41143 1/20 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
SCHEMBL4916517 0.86 OPRL1 (0.58) OPRL1CHRM2CHRM4CHRM5CHRM1
SCHEMBL6586061 0.86 OPRL1 (0.58) OPRL1CHRM2CHRM4CHRM5CHRM1
SCHEMBL7746945 0.83 OPRL1 (0.56) OPRL1CHRM2CHRM4CHRM5CHRM1
SCHEMBL7744376 0.83 OPRL1 (0.56) OPRL1CHRM2CHRM4CHRM5CHRM1
SCHEMBL4919326 0.83 OPRL1 (0.67) OPRL1CHRM2CHRM4CHRM1CHRM3
SCHEMBL6586718 0.81 OPRM1 (0.57) OPRL1CHRM2CHRM4CHRM5CHRM1
SCHEMBL6590145 0.78 CHRM2 (0.46) OPRL1CHRM2CHRM4CHRM5CHRM1
SCHEMBL6585237 0.77 OPRM1 (0.69) OPRL1CHRM2CHRM4CHRM1CHRM3
SCHEMBL8136817 0.76 OPRL1 (0.56) OPRL1CHRM2CHRM4CHRM5CHRM1
SCHEMBL6586613 0.75 OPRM1 (0.43) OPRL1SLC18A2SLC6A3OPRM1OPRK1

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