SCHEMBL6578112

SCHEMBL6578112

COC(=O)N1CCC(N2CCC(n3c(=O)n(S(C)(=O)=O)c4cc(C)ccc43)CC2)CC1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.41
ALOX12 P18054 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CHRM1 P11229 5/20 0.41
CHRM2 P08172 4/20 0.41
CHRM4 P08173 2/20 0.41
CHRM5 P08912 2/20 0.41
CHRM3 P20309 2/20 0.41
IRAK4 Q9NWZ3 1/20 0.41
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
KCNH2 Q12809 2/20 0.39
OPRL1 P41146 5/20 0.38
HSD11B1 P28845 2/20 0.38
OPRM1 P35372 3/20 0.38
P2RX3 P56373 1/20 0.37
HRH1 P35367 2/20 0.37
CCR3 P51677 2/20 0.37

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
SCHEMBL6580008 0.90 CHRM2 (0.41) CHRM1CHRM2CHRM4CHRM5CHRM3
SCHEMBL6580102 0.89 CHRM1 (0.41) CHRM1CHRM2CHRM4CHRM5CHRM3
Hydrochloric Acid SCHEMBL6577824 0.89 CHRM2 (0.41) CHRM1CHRM2CHRM4CHRM5CHRM3
SCHEMBL6578018 0.89 CHRM1 (0.41) SMN1; SMN2CHRM1CHRM2CHRM4CHRM5
SCHEMBL6577964 0.88 CHRM1 (0.48) CHRM1CHRM2CHRM4CHRM5CHRM3
SCHEMBL6577699 0.86 CHRM2 (0.41) SMN1; SMN2CHRM1CHRM2CHRM4CHRM5
SCHEMBL6577973 0.85 CHRM1 (0.41) SMN1; SMN2CHRM1CHRM2CHRM4CHRM5
Hydrochloric Acid SCHEMBL6768431 0.85 CHRM2 (0.41) SMN1; SMN2CHRM1CHRM2CHRM4CHRM5
SCHEMBL6578247 0.81 HTR4 (0.43) CHRM1CHRM2CHRM4CHRM5CHRM3
SCHEMBL6577830 0.81 OPRL1 (0.44) 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