SCHEMBL6577973

SCHEMBL6577973

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 5/20 0.41
CHRM2 P08172 2/20 0.41
OPRM1 P35372 1/20 0.39
OPRL1 P41146 1/20 0.39
PKM P14618 3/20 0.39
DRD2 P14416 2/20 0.39
CHRM4 P08173 1/20 0.39
CHRM5 P08912 1/20 0.39
CHRM3 P20309 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.38
HSD11B1 P28845 2/20 0.38
MAPK1 P28482 2/20 0.38
PIK3CA P42336 2/20 0.38
MTOR P42345 2/20 0.38
ATM Q13315 1/20 0.38
ATR Q13535 1/20 0.38
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
KMT2A Q03164 1/20 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
SCHEMBL6578018 0.96 CHRM1 (0.41) CHRM1CHRM2OPRM1OPRL1PKM
SCHEMBL6582837 0.90 CHRM2 (0.50) CHRM1CHRM2CHRM4CHRM5CHRM3
SCHEMBL6577699 0.89 CHRM2 (0.41) CHRM1CHRM2OPRM1OPRL1CHRM4
Hydrochloric Acid SCHEMBL6768431 0.88 CHRM2 (0.41) CHRM1CHRM2OPRM1OPRL1CHRM4
SCHEMBL6577964 0.87 CHRM1 (0.48) CHRM1CHRM2OPRM1OPRL1CHRM4
SCHEMBL6578112 0.85 GAA (0.41) CHRM1CHRM2OPRM1OPRL1CHRM4
SCHEMBL6580008 0.85 CHRM2 (0.41) CHRM1CHRM2OPRM1OPRL1CHRM4
Hydrochloric Acid SCHEMBL6577824 0.84 CHRM2 (0.41) CHRM1CHRM2OPRM1OPRL1CHRM4
SCHEMBL6580102 0.84 CHRM1 (0.41) CHRM1CHRM2OPRM1OPRL1DRD2
SCHEMBL6577981 0.82 CHRM1 (0.42) CHRM1CHRM2OPRM1OPRL1DRD2

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