SCHEMBL6578308

SCHEMBL6578308

COC(=O)N1CCC(N2CCC(n3c(=O)n(CS(C)(=O)=O)c4ccccc43)CC2)CC1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 17/20 0.56
OPRM1 P35372 12/20 0.55
OPRD1 P41143 2/20 0.52
CHRM2 P08172 1/20 0.52
CHRM4 P08173 1/20 0.52
CHRM5 P08912 1/20 0.52
CHRM1 P11229 1/20 0.52
CHRM3 P20309 1/20 0.52
KCNH2 Q12809 1/20 0.52
OPRK1 P41145 1/20 0.46
OGFRL1 Q5TC84 1/20 0.46
CYP3A4 P08684 2/20 0.45

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
SCHEMBL6580191 0.91 OPRL1 (0.53) OPRL1OPRM1OPRD1CHRM2CHRM4
SCHEMBL6580319 0.88 OPRL1 (0.59) OPRL1OPRM1OPRD1CHRM2CHRM4
SCHEMBL6580289 0.86 OPRL1 (0.57) OPRL1OPRM1OPRD1CHRM2CHRM4
SCHEMBL6577945 0.86 OPRL1 (0.62) OPRL1OPRM1OPRD1CHRM2CHRM4
SCHEMBL6580114 0.86 OPRL1 (0.62) OPRL1OPRM1OPRD1CHRM2CHRM4
SCHEMBL6580355 0.86 OPRL1 (0.57) OPRL1OPRM1OPRD1CHRM2CHRM4
SCHEMBL6577934 0.86 OPRL1 (0.57) OPRL1OPRM1OPRD1CHRM2CHRM4
SCHEMBL6580287 0.86 CYP3A4 (0.59) OPRL1OPRM1OPRD1CHRM2CHRM4
SCHEMBL6580444 0.85 OPRL1 (0.56) OPRL1OPRM1OPRD1CHRM2CHRM4
SCHEMBL6579971 0.85 OPRL1 (0.56) OPRL1OPRM1OPRD1CHRM2CHRM4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1221443-B1 SUBSTITUTED IMIDAZOLIDINONE DERIVATIVES BANYU PHARMA CO LTD (JP) 2004-09-01 EP claimed
US-6699880-B1 STIMULATE MUSCARINIC ACETYLCHOLINE RECEPTORS M4, ANALGESICS BANYU PHARMACEUTICAL CO., LTD. (JP) 2004-03-02 US claimed
EP-1221443-A1 SUBSTITUTED IMIDAZOLIDINONE DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 2002-07-10 EP claimed
EP-1221443-B1 SUBSTITUTED IMIDAZOLIDINONE DERIVATIVES BANYU PHARMA CO LTD (JP) 2004-09-01 EP disclosed
US-6699880-B1 STIMULATE MUSCARINIC ACETYLCHOLINE RECEPTORS M4, ANALGESICS BANYU PHARMACEUTICAL CO., LTD. (JP) 2004-03-02 US disclosed
EP-1221443-A1 SUBSTITUTED IMIDAZOLIDINONE DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 2002-07-10 EP disclosed