SCHEMBL6577909

SCHEMBL6577909

COC(=O)N1CCC(N2CCC(n3c(=O)[nH]c4cc(S(C)(=O)=O)ccc43)CC2)CC1

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 15/20 0.56
CHRM2 P08172 3/20 0.56
CHRM4 P08173 2/20 0.56
CHRM3 P20309 2/20 0.56
CHRM5 P08912 1/20 0.56
OPRM1 P35372 1/20 0.54
DRD2 P14416 3/20 0.49
CALCRL Q16602 1/20 0.47
HSD11B1 P28845 3/20 0.46

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
SCHEMBL6577611 0.86 CHRM1 (0.63) CHRM1CHRM2CHRM4CHRM3CHRM5
SCHEMBL4435627 0.85 OPRM1 (0.55) CHRM1CHRM2CHRM4CHRM3CHRM5
SCHEMBL6577930 0.85 CHRM1 (0.59) CHRM1CHRM2CHRM4CHRM3CHRM5
SCHEMBL6577844 0.85 HSD11B1 (0.62) CHRM1CHRM2CHRM4CHRM3CHRM5
SCHEMBL6577928 0.82 CHRM1 (0.80) CHRM1CHRM2CHRM4CHRM3CHRM5
SCHEMBL6577967 0.81 CHRM1 (0.57) CHRM1CHRM2CHRM4CHRM3CHRM5
SCHEMBL13153970 0.79 HSD11B1 (0.55) CHRM1CHRM2CHRM4CHRM3CHRM5
SCHEMBL6580539 0.79 CHRM1 (0.59) CHRM1CHRM2CHRM4CHRM3CHRM5
SCHEMBL28503472 0.78 ALDH1A1 (0.54) CHRM1OPRM1DRD2CALCRLHSD11B1
SCHEMBL7191407 0.77 OPRM1 (0.54) CHRM1CHRM2CHRM4CHRM3CHRM5

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-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