SCHEMBL6590145

SCHEMBL6590145

CCOC(=O)C1CN(CC2(CC)CCCCCCC2)CCC1n1c(=O)[nH]c2ccccc21

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.46
CHRM4 P08173 1/20 0.46
CHRM5 P08912 1/20 0.46
CHRM1 P11229 1/20 0.46
CHRM3 P20309 1/20 0.46
SLC18A2 Q05940 9/20 0.44
SLC6A3 Q01959 4/20 0.44
OPRL1 P41146 5/20 0.43
OPRM1 P35372 3/20 0.43
OPRK1 P41145 2/20 0.43
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
PMP22 Q01453 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
HTR2A P28223 2/20 0.42
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41

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 0.84 OPRL1 (0.58) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL4916517 0.84 OPRL1 (0.58) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL4918766 0.83 OPRL1 (0.48) CHRM2CHRM4CHRM1CHRM3OPRL1
SCHEMBL6586718 0.82 OPRM1 (0.57) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL6587465 0.80 OPRL1 (0.40) OPRL1OPRM1OPRK1KDM4EALDH1A1
SCHEMBL7744376 0.79 OPRL1 (0.56) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL7746945 0.79 OPRL1 (0.56) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL4919083 0.79 OPRM1 (0.62) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL6585954 0.78 OPRL1 (0.51) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL8658891 0.76 CHRM1 (0.55) CHRM2CHRM4CHRM5CHRM1CHRM3

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