SCHEMBL6577611

SCHEMBL6577611

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

nearest known ligand 0.63

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 12/20 0.63
CHRM2 P08172 3/20 0.63
CHRM4 P08173 3/20 0.63
CHRM3 P20309 3/20 0.63
CHRM5 P08912 2/20 0.63
KCNH2 Q12809 1/20 0.56
OPRM1 P35372 2/20 0.51
HSD11B1 P28845 3/20 0.51
TNKS O95271 1/20 0.49
PARP1 P09874 1/20 0.49
PARP2 Q9UGN5 1/20 0.49
OPRD1 P41143 1/20 0.49
OPRK1 P41145 1/20 0.49
PLD2 O14939 1/20 0.48
PLD1 Q13393 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
SCHEMBL8863984 0.89 CHRM1 (0.60) CHRM1CHRM2CHRM4CHRM3CHRM5
SCHEMBL6577930 0.88 CHRM1 (0.59) CHRM1CHRM2CHRM4CHRM3CHRM5
SCHEMBL6577844 0.88 HSD11B1 (0.62) CHRM1CHRM2CHRM4CHRM3CHRM5
SCHEMBL6577909 0.86 CHRM1 (0.56) CHRM1CHRM2CHRM4CHRM3CHRM5
SCHEMBL8667070 0.86 CHRM1 (0.70) CHRM1CHRM2CHRM4CHRM3CHRM5
SCHEMBL6577928 0.86 CHRM1 (0.80) CHRM1CHRM2CHRM4CHRM3CHRM5
SCHEMBL6577967 0.84 CHRM1 (0.57) CHRM1CHRM2CHRM4CHRM3CHRM5
SCHEMBL29198147 0.84 CHRM1 (0.53) CHRM1CHRM2CHRM4CHRM3CHRM5
SCHEMBL2932430 0.83 OPRM1 (0.57) CHRM1CHRM2CHRM4CHRM3CHRM5
SCHEMBL13153970 0.83 HSD11B1 (0.55) 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