SCHEMBL18922668

SCHEMBL18922668

CCOC(=O)N1C2CC[C@@H]1CC(N1CCC(OC)(C(=O)NC3(C)CCC3)CC1)C2

nearest known ligand 0.48

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 19/20 0.48
CHRM5 P08912 2/20 0.40
CHRM2 P08172 1/20 0.40
CHRM4 P08173 1/20 0.38
ALDH1A1 P00352 1/20 0.35

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
SCHEMBL15623191 1.00 CHRM1 (0.48) CHRM1CHRM5CHRM2CHRM4ALDH1A1
SCHEMBL15630183 0.86 CHRM1 (0.47) CHRM1CHRM5CHRM2CHRM4
SCHEMBL15618492 0.83 CHRM1 (0.45) CHRM1CHRM5CHRM2CHRM4
SCHEMBL14978786 0.83 CHRM1 (0.70) CHRM1CHRM2CHRM4ALDH1A1
SCHEMBL15618674 0.82 CHRM1 (0.46) CHRM1CHRM5CHRM2CHRM4
SCHEMBL15618571 0.81 CHRM1 (0.68) CHRM1CHRM5CHRM2CHRM4
SCHEMBL20901308 0.79 CHRM1 (0.47) CHRM1CHRM5CHRM2CHRM4
SCHEMBL15618702 0.78 CHRM1 (0.70) CHRM1CHRM5CHRM2CHRM4
SCHEMBL20901247 0.76 CHRM1 (0.41) CHRM1CHRM5CHRM2CHRM4
SCHEMBL21597926 0.74 CHRM1 (0.63) CHRM1CHRM5CHRM2CHRM4

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9669013-B2 Bicyclic aza compounds as muscarinic M1 receptor agonists HEPTARES THERAPEUTICS LIMITED (GB) 2017-06-06 US disclosed