SCHEMBL22813638

SCHEMBL22813638

CCOC(=O)N1CCC2(CC(N3CCC(N(CC)CCSC)CC3)C2)C1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CHRM4 P08173 6/20 0.48
CHRM2 P08172 3/20 0.40
CHRM1 P11229 6/20 0.36
TP53 P04637 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
CHRM5 P08912 1/20 0.32
CHRM3 P20309 1/20 0.32
MAPK1 P28482 1/20 0.31
GAA P10253 1/20 0.30

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
SCHEMBL23368251 0.90 CHRM4 (0.51) CHRM4CHRM2CHRM1TP53TDP1
SCHEMBL18429064 0.88 CHRM4 (0.49) CHRM4CHRM2CHRM1TP53TDP1
SCHEMBL18428971 0.85 CHRM4 (0.47) CHRM4CHRM2CHRM1TP53TDP1
SCHEMBL18428975 0.85 CHRM4 (0.47) CHRM4CHRM2CHRM1TP53TDP1
SCHEMBL18429047 0.84 CHRM4 (0.49) CHRM4CHRM2CHRM1TP53TDP1
SCHEMBL18429063 0.83 CHRM4 (0.49) CHRM4CHRM2CHRM1TP53TDP1
SCHEMBL18429049 0.82 CHRM4 (0.53) CHRM4CHRM2CHRM1TP53TDP1
SCHEMBL19273272 0.82 CHRM4 (0.53) CHRM4CHRM2CHRM1TP53TDP1
SCHEMBL22813523 0.82 CHRM4 (0.57) CHRM4CHRM2CHRM1TP53TDP1
SCHEMBL18429022 0.81 CHRM4 (0.52) CHRM4CHRM2CHRM1TP53TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3822262-A1 MUSCARINIC AGONISTS Heptares Therapeutics Limited (GB) 2021-05-19 EP disclosed
EP-3331869-B1 MUSCARINIC AGONISTS HEPTARES THERAPEUTICS LTD (GB) 2020-12-23 EP disclosed