SCHEMBL6580340

SCHEMBL6580340

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

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 2/20 0.67
CHRM2 P08172 2/20 0.67
CHRM4 P08173 2/20 0.67
CHRM5 P08912 1/20 0.67
CHRM3 P20309 1/20 0.67
HSD11B1 P28845 2/20 0.56
L3MBTL1 Q9Y468 1/20 0.54
CYP3A4 P08684 1/20 0.51
PIK3CA P42336 1/20 0.51
MTOR P42345 1/20 0.51
SMN1; SMN2 Q16637 2/20 0.50
HTT P42858 1/20 0.50
OPRL1 P41146 5/20 0.49
OPRM1 P35372 5/20 0.49
OPRD1 P41143 2/20 0.49
OPRK1 P41145 2/20 0.49
OGFRL1 Q5TC84 2/20 0.49
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
GAA P10253 1/20 0.48

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
SCHEMBL3006673 0.93 CHRM1 (0.59) CHRM1CHRM2CHRM4CHRM5CHRM3
SCHEMBL6577940 0.89 CHRM1 (0.67) CHRM1CHRM2CHRM4CHRM5CHRM3
SCHEMBL6580899 0.88 HSD11B1 (0.58) CHRM1CHRM2CHRM4CHRM5CHRM3
SCHEMBL6580485 0.85 CHRM1 (0.62) CHRM1CHRM2CHRM4CHRM5CHRM3
SCHEMBL11849662 0.81 DRD2 (0.67) CHRM1CHRM2CHRM4CHRM5CHRM3
SCHEMBL6580308 0.80 OPRL1 (0.58) CHRM1CHRM2CHRM4CHRM5CHRM3
SCHEMBL6160925 0.80 HSD11B1 (0.56) CHRM1CHRM2CHRM4CHRM3HSD11B1
SCHEMBL6580373 0.80 CHRM1 (1.00) CHRM1CHRM2CHRM4CHRM5CHRM3
SCHEMBL6580289 0.79 OPRL1 (0.57) CHRM1CHRM2CHRM4CHRM5CHRM3
SCHEMBL6580287 0.79 CYP3A4 (0.59) 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