SCHEMBL9851792

SCHEMBL9851792

CCCNCC#CCN(C)C(=O)OC

nearest known ligand 0.65

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 2/20 0.37
ACHE P22303 2/20 0.33
PAOX Q6QHF9 1/20 0.32
CHRM2 P08172 1/20 0.30
CHRM4 P08173 1/20 0.30
CHRM5 P08912 1/20 0.30
CHRM3 P20309 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
SCHEMBL9851686 0.81 CHRM1 (0.34) CHRM1PAOX
SCHEMBL9851680 0.80 PAOX (0.35) CHRM1ACHEPAOX
SCHEMBL9779487 0.79 CHRM1 (0.59) CHRM1CHRM2CHRM4CHRM5CHRM3
SCHEMBL9779728 0.78 CHRM1 (0.44) CHRM1CHRM2CHRM4CHRM5CHRM3
SCHEMBL9779405 0.78 CHRM1 (0.50) CHRM1CHRM2CHRM4CHRM5CHRM3
SCHEMBL9779578 0.77 CHRM1 (0.42) CHRM1CHRM2CHRM4CHRM5CHRM3
SCHEMBL9779622 0.76 CHRM1 (0.41) CHRM1CHRM2CHRM4CHRM5CHRM3
SCHEMBL9779570 0.71 CHRM1 (0.37) CHRM1ACHE
SCHEMBL27324948 0.71 PAOX (0.39) PAOX
SCHEMBL11728208 0.70 CHRM1 (0.53) CHRM1PAOXCHRM2CHRM4CHRM5

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
EP-0411616-A1 4-(N-substituted amino)-2-butynyl-1-carbamates and thiocarbamates and derivatives thereof as centrally acting muscarinic agents WARNER-LAMBERT COMPANY (US) 1991-02-06 EP claimed