SCHEMBL6580899

SCHEMBL6580899

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

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 3/20 0.58
CHRM2 P08172 2/20 0.52
CHRM1 P11229 2/20 0.52
CHRM4 P08173 1/20 0.52
CHRM5 P08912 1/20 0.52
CHRM3 P20309 1/20 0.52
OPRL1 P41146 9/20 0.51
OPRM1 P35372 7/20 0.50
CYP3A4 P08684 1/20 0.50
PIK3CA P42336 3/20 0.49
MTOR P42345 3/20 0.49
ATM Q13315 1/20 0.47
ATR Q13535 1/20 0.47
OPRD1 P41143 2/20 0.47
KCNH2 Q12809 1/20 0.47
TNKS O95271 1/20 0.46
PARP1 P09874 1/20 0.46
PARP2 Q9UGN5 1/20 0.46
PRKDC P78527 1/20 0.44
OPRK1 P41145 1/20 0.44

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
SCHEMBL6580340 0.88 CHRM1 (0.67) HSD11B1CHRM2CHRM1CHRM4CHRM5
SCHEMBL6580155 0.88 CHRM1 (0.52) HSD11B1CHRM2CHRM1CHRM4CHRM5
SCHEMBL6580420 0.86 CHRM2 (0.50) HSD11B1CHRM2CHRM1CHRM4CHRM5
SCHEMBL6580289 0.85 OPRL1 (0.57) CHRM2CHRM1CHRM4CHRM5CHRM3
SCHEMBL6580355 0.85 OPRL1 (0.57) CHRM2CHRM1CHRM4CHRM5CHRM3
SCHEMBL6580319 0.85 OPRL1 (0.59) CHRM2CHRM1CHRM4CHRM5CHRM3
SCHEMBL6578075 0.85 CHRM2 (0.49) HSD11B1CHRM2CHRM1CHRM4CHRM5
SCHEMBL6579971 0.85 OPRL1 (0.56) CHRM2CHRM1CHRM4CHRM5CHRM3
SCHEMBL6580444 0.85 OPRL1 (0.56) CHRM2CHRM1CHRM4CHRM5CHRM3
SCHEMBL6577964 0.84 CHRM1 (0.48) HSD11B1CHRM2CHRM1CHRM4CHRM5

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 7 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
WO-2012020813-A1 FUSED-RING PYRROLIDINE DERIVATIVE 大日本住友製薬株式会社 (JP) 2012-02-16 WO disclosed
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