SCHEMBL6577928

SCHEMBL6577928

COC(=O)N1CCC(N2CCC(n3c(=O)[nH]c4ccccc43)CC2)CC1

nearest known ligand 0.80

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 10/20 0.80
CHRM2 P08172 5/20 0.80
CHRM4 P08173 5/20 0.80
CHRM3 P20309 4/20 0.80
CHRM5 P08912 3/20 0.80
HSD11B1 P28845 6/20 0.60
CYP3A4 P08684 1/20 0.60
CALCRL Q16602 1/20 0.60
ALDH1A1 P00352 1/20 0.60
MAPK1 P28482 1/20 0.60
SLC18A3 Q16572 1/20 0.58
DRD2 P14416 1/20 0.58
ADRA1D P25100 1/20 0.58
HTR2C P28335 1/20 0.58
ADRA1A P35348 1/20 0.58
ADRA1B P35368 1/20 0.58

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
SCHEMBL3411560 0.93 CHRM1 (0.70) CHRM1CHRM2CHRM4CHRM3CHRM5
SCHEMBL13243458 0.93 CHRM1 (0.70) CHRM1CHRM2CHRM4CHRM3CHRM5
SCHEMBL6580000 0.92 CHRM1 (0.69) CHRM1CHRM2CHRM4CHRM3CHRM5
SCHEMBL6580671 0.92 CHRM1 (0.69) CHRM1CHRM2CHRM4CHRM3CHRM5
SCHEMBL6580373 0.89 CHRM1 (1.00) CHRM1CHRM2CHRM4CHRM3CHRM5
SCHEMBL6580262 0.88 CHRM1 (0.76) CHRM1CHRM2CHRM4CHRM3CHRM5
SCHEMBL6577611 0.86 CHRM1 (0.63) CHRM1CHRM2CHRM4CHRM3CHRM5
SCHEMBL5476462 0.85 CHRM1 (0.76) CHRM1CHRM2CHRM4CHRM3CHRM5
SCHEMBL8863392 0.85 CHRM1 (0.69) CHRM1CHRM2CHRM4CHRM3CHRM5
SCHEMBL6577844 0.85 HSD11B1 (0.62) 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