SCHEMBL6580100

SCHEMBL6580100

COC(=O)N1CCC(N2CCC(n3c(=O)[nH]c4ncccc43)CC2)CC1

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.58
CHRM4 P08173 1/20 0.58
CHRM5 P08912 1/20 0.58
CHRM1 P11229 1/20 0.58
CHRM3 P20309 1/20 0.58
CALCRL Q16602 18/20 0.57
OPRM1 P35372 1/20 0.56
OPRD1 P41143 1/20 0.56
OPRK1 P41145 1/20 0.56
OPRL1 P41146 1/20 0.56

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
SCHEMBL3063134 0.86 CHRM2 (0.64) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL31192594 0.85 CALCRL (0.55) CALCRL
SCHEMBL1197774 0.85 CALCRL (0.55) CALCRL
SCHEMBL12087688 0.84 CALCRL (0.61) CALCRL
SCHEMBL6577928 0.84 CHRM1 (0.80) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL2100682 0.83 CALCRL (0.63) CALCRL
SCHEMBL1198682 0.82 CALCRL (0.59) CALCRL
SCHEMBL13074126 0.82 CALCRL (0.59) CALCRL
SCHEMBL29151374 0.82 HCAR1 (0.53) CALCRL
SCHEMBL27829251 0.81 CALCRL (0.58) CALCRL

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