SCHEMBL8847985

SCHEMBL8847985

CCCCCCOC(=O)O[C@H]1CCN(CC#CCN(C)C)C1=O

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 3/20 0.34
CHRM4 P08173 3/20 0.34
CHRM5 P08912 3/20 0.34
CHRM1 P11229 3/20 0.34
CHRM3 P20309 3/20 0.34
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
MAPK1 P28482 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL8847945 1.00 CHRM2 (0.34) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL8848268 0.96 CHRM2 (0.36) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL8948434 0.87 CHRM2 (0.48) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL8948431 0.87 CHRM2 (0.48) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL8848123 0.87 CHRM2 (0.39) CHRM2CHRM4CHRM5CHRM1CHRM3
Iodide SCHEMBL9301555 0.84 CHRM2 (0.39) CHRM2CHRM4CHRM5CHRM1CHRM3
Iodide SCHEMBL9301287 0.84 CHRM2 (0.39) CHRM2CHRM4CHRM5CHRM1CHRM3
Iodide SCHEMBL9301277 0.84 CHRM2 (0.39) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL8948475 0.82 CHRM2 (0.50) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL8948450 0.82 CHRM2 (0.50) CHRM2CHRM4CHRM5CHRM1CHRM3

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-5637731-A CHOLINERGIC AGENTS AMERICAN HOME PRODUCTS CORPORATION (US) 1997-06-10 US claimed