SCHEMBL6577699

SCHEMBL6577699

COC(=O)N1CCC(N2CCC(n3c(=O)n(S(C)(=O)=O)c4ccc(O)cc43)CC2)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 3/20 0.41
CHRM1 P11229 2/20 0.41
CHRM4 P08173 1/20 0.39
CHRM5 P08912 1/20 0.39
CHRM3 P20309 1/20 0.39
PIK3CA P42336 3/20 0.37
MTOR P42345 3/20 0.37
ATM Q13315 1/20 0.37
ATR Q13535 1/20 0.37
PRKDC P78527 1/20 0.37
OPRL1 P41146 6/20 0.36
ACACB O00763 1/20 0.36
ACACA Q13085 1/20 0.36
OPRM1 P35372 4/20 0.36
TNF P01375 1/20 0.35
LITAF Q99732 1/20 0.35
OGFRL1 Q5TC84 1/20 0.35
KDM4E B2RXH2 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HSD11B1 P28845 2/20 0.34

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
Hydrochloric Acid SCHEMBL6768431 0.99 CHRM2 (0.41) CHRM2CHRM1CHRM4CHRM5CHRM3
SCHEMBL6580008 0.96 CHRM2 (0.41) CHRM2CHRM1CHRM4CHRM5CHRM3
Hydrochloric Acid SCHEMBL6577824 0.95 CHRM2 (0.41) CHRM2CHRM1CHRM4CHRM5CHRM3
SCHEMBL6577973 0.89 CHRM1 (0.41) CHRM2CHRM1CHRM4CHRM5CHRM3
SCHEMBL6577964 0.88 CHRM1 (0.48) CHRM2CHRM1CHRM4CHRM5CHRM3
SCHEMBL6578112 0.86 GAA (0.41) CHRM2CHRM1CHRM4CHRM5CHRM3
SCHEMBL6580102 0.85 CHRM1 (0.41) CHRM2CHRM1CHRM4CHRM5CHRM3
SCHEMBL6578018 0.85 CHRM1 (0.41) CHRM2CHRM1CHRM4CHRM5CHRM3
SCHEMBL6577749 0.81 CHRM1 (0.43) CHRM2CHRM1CHRM4CHRM5CHRM3
SCHEMBL6577830 0.81 OPRL1 (0.44) CHRM2CHRM1CHRM4CHRM5CHRM3

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