SCHEMBL7746945

SCHEMBL7746945

CCOC(=O)C1CN(CC2CCCCCCC2)CCC1n1c(=O)[nH]c2ccccc21.O=c1[nH]c2ccccc2n1C1CCN(CC2CCCCCCC2)CC1CO

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 6/20 0.56
OPRM1 P35372 4/20 0.56
OPRK1 P41145 3/20 0.56
CHRM2 P08172 2/20 0.44
CHRM4 P08173 2/20 0.44
CHRM5 P08912 2/20 0.44
CHRM1 P11229 2/20 0.44
CHRM3 P20309 2/20 0.44
SLC18A2 Q05940 8/20 0.42
SLC6A3 Q01959 4/20 0.42
DRD2 P14416 1/20 0.41
DRD4 P21917 1/20 0.41
DRD3 P35462 1/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 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 0.40

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
SCHEMBL7744376 1.00 OPRL1 (0.56) OPRL1OPRM1OPRK1CHRM2CHRM4
SCHEMBL6586061 0.94 OPRL1 (0.58) OPRL1OPRM1OPRK1CHRM2CHRM4
SCHEMBL4916517 0.94 OPRL1 (0.58) OPRL1OPRM1OPRK1CHRM2CHRM4
SCHEMBL8136817 0.92 OPRL1 (0.56) OPRL1OPRM1OPRK1CHRM2CHRM4
SCHEMBL8121203 0.90 OPRL1 (0.58) OPRL1OPRM1OPRK1CHRM2CHRM4
SCHEMBL4916956 0.88 OPRL1 (0.66) OPRL1OPRM1OPRK1CHRM2CHRM4
SCHEMBL4920275 0.88 OPRL1 (0.66) OPRL1OPRM1OPRK1CHRM2CHRM4
Lithium Ion SCHEMBL7745039 0.86 OPRL1 (0.64) OPRL1OPRM1OPRK1CHRM2CHRM4
SCHEMBL6585954 0.83 OPRL1 (0.51) OPRL1OPRM1OPRK1CHRM2CHRM4
SCHEMBL6586613 0.83 OPRM1 (0.43) OPRL1OPRM1OPRK1SLC18A2SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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