SCHEMBL6580287

SCHEMBL6580287

CCOCCn1c(=O)n(C2CCN(C3CCN(C(=O)OC)CC3)CC2)c2ccccc21

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 0.59
OPRL1 P41146 12/20 0.54
OPRM1 P35372 9/20 0.53
CHRM2 P08172 1/20 0.52
CHRM4 P08173 1/20 0.52
CHRM5 P08912 1/20 0.52
CHRM1 P11229 1/20 0.52
CHRM3 P20309 1/20 0.52
OPRD1 P41143 1/20 0.50
KCNH2 Q12809 1/20 0.50
CACNA1G O43497 1/20 0.47
CACNA1H O95180 1/20 0.47
TACR1 P25103 1/20 0.45

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
SCHEMBL6580289 0.91 OPRL1 (0.57) CYP3A4OPRL1OPRM1CHRM2CHRM4
SCHEMBL6580590 0.89 OPRL1 (0.55) CYP3A4OPRL1OPRM1CHRM2CHRM4
SCHEMBL6580355 0.89 OPRL1 (0.57) CYP3A4OPRL1OPRM1CHRM2CHRM4
SCHEMBL6580319 0.89 OPRL1 (0.59) CYP3A4OPRL1OPRM1CHRM2CHRM4
SCHEMBL6581954 0.88 OPRL1 (0.54) CYP3A4OPRL1OPRM1CHRM2CHRM4
SCHEMBL6580444 0.88 OPRL1 (0.56) CYP3A4OPRL1OPRM1CHRM2CHRM4
SCHEMBL6579971 0.88 OPRL1 (0.56) CYP3A4OPRL1OPRM1CHRM2CHRM4
SCHEMBL6578011 0.86 OPRL1 (0.54) CYP3A4OPRL1OPRM1CHRM2CHRM4
SCHEMBL6578308 0.86 OPRL1 (0.56) CYP3A4OPRL1OPRM1CHRM2CHRM4
SCHEMBL6580191 0.85 OPRL1 (0.53) CYP3A4OPRL1OPRM1CHRM2CHRM4

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