SCHEMBL6577964

SCHEMBL6577964

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

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 3/20 0.48
CHRM2 P08172 2/20 0.48
CHRM4 P08173 1/20 0.48
CHRM5 P08912 1/20 0.48
CHRM3 P20309 1/20 0.48
OPRL1 P41146 11/20 0.47
OPRM1 P35372 10/20 0.47
OPRD1 P41143 3/20 0.44
KCNH2 Q12809 1/20 0.44
OGFRL1 Q5TC84 4/20 0.43
HSD11B1 P28845 1/20 0.42
HTR4 Q13639 1/20 0.41
OPRK1 P41145 2/20 0.41
PER2 O15055 1/20 0.41
CRY1 Q16526 1/20 0.41
CRY2 Q49AN0 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
SCHEMBL6578247 0.93 HTR4 (0.43) CHRM1CHRM2CHRM4CHRM5CHRM3
SCHEMBL6577830 0.93 OPRL1 (0.44) CHRM1CHRM2CHRM4CHRM5CHRM3
SCHEMBL6580485 0.89 CHRM1 (0.62) CHRM1CHRM2CHRM4CHRM5CHRM3
SCHEMBL6577766 0.89 CHRM2 (0.52) CHRM1CHRM2CHRM4CHRM5CHRM3
SCHEMBL6577722 0.89 CHRM1 (0.46) CHRM1CHRM2CHRM4CHRM5CHRM3
SCHEMBL6582056 0.89 OPRM1 (0.53) CHRM1CHRM2CHRM4CHRM5CHRM3
SCHEMBL6580147 0.89 OPRL1 (0.46) CHRM1CHRM2CHRM4CHRM5CHRM3
SCHEMBL6580008 0.88 CHRM2 (0.41) CHRM1CHRM2CHRM4CHRM5CHRM3
SCHEMBL6577699 0.88 CHRM2 (0.41) CHRM1CHRM2CHRM4CHRM5CHRM3
SCHEMBL6578112 0.88 GAA (0.41) CHRM1CHRM2CHRM4CHRM5CHRM3

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