SCHEMBL6580147

SCHEMBL6580147

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

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 10/20 0.46
OPRM1 P35372 8/20 0.46
OPRD1 P41143 2/20 0.46
KCNH2 Q12809 1/20 0.46
CHRM1 P11229 3/20 0.46
CHRM2 P08172 2/20 0.46
CHRM4 P08173 1/20 0.46
CHRM5 P08912 1/20 0.46
CHRM3 P20309 1/20 0.46
HTR4 Q13639 2/20 0.43
HSD11B1 P28845 1/20 0.41
CYP3A4 P08684 1/20 0.40
CALCRL Q16602 1/20 0.40
OGFRL1 Q5TC84 3/20 0.39
OPRK1 P41145 1/20 0.39

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
SCHEMBL6577964 0.89 CHRM1 (0.48) OPRL1OPRM1OPRD1KCNH2CHRM1
SCHEMBL6577766 0.87 CHRM2 (0.52) OPRL1OPRM1OPRD1KCNH2CHRM1
SCHEMBL6577722 0.86 CHRM1 (0.46) OPRL1OPRM1OPRD1KCNH2CHRM1
SCHEMBL6577713 0.84 CHRM1 (0.46) OPRL1OPRM1OPRD1KCNH2CHRM1
SCHEMBL6577719 0.82 CHRM2 (0.48) OPRL1OPRM1OPRD1KCNH2CHRM1
SCHEMBL6580420 0.82 CHRM2 (0.50) OPRL1OPRM1OPRD1KCNH2CHRM1
SCHEMBL6580155 0.82 CHRM1 (0.52) OPRL1OPRM1OPRD1KCNH2CHRM1
SCHEMBL6580899 0.82 HSD11B1 (0.58) OPRL1OPRM1OPRD1KCNH2CHRM1
SCHEMBL6578247 0.81 HTR4 (0.43) OPRL1OPRM1OPRD1KCNH2CHRM1
SCHEMBL6577830 0.81 OPRL1 (0.44) OPRL1OPRM1OPRD1KCNH2CHRM1

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