SCHEMBL9779405

SCHEMBL9779405

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

nearest known ligand 0.75

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 5/20 0.50
CHRM2 P08172 3/20 0.50
CHRM4 P08173 3/20 0.50
CHRM5 P08912 3/20 0.50
CHRM3 P20309 3/20 0.50
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
GAA P10253 1/20 0.39
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.34

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
SCHEMBL9779487 0.86 CHRM1 (0.59) CHRM1CHRM2CHRM4CHRM5CHRM3
SCHEMBL9779728 0.85 CHRM1 (0.44) CHRM1CHRM2CHRM4CHRM5CHRM3
SCHEMBL9779622 0.82 CHRM1 (0.41) CHRM1CHRM2CHRM4CHRM5CHRM3
SCHEMBL9779578 0.80 CHRM1 (0.42) CHRM1CHRM2CHRM4CHRM5CHRM3
SCHEMBL9851792 0.78 CHRM1 (0.37) CHRM1CHRM2CHRM4CHRM5CHRM3
SCHEMBL9029298 0.78 CHRM1 (0.72) CHRM1CHRM2CHRM4CHRM5CHRM3
SCHEMBL9030861 0.78 CHRM1 (0.55) CHRM1CHRM2CHRM4CHRM5CHRM3
SCHEMBL9514823 0.77 CHRM1 (0.50) CHRM1CHRM2CHRM4CHRM5CHRM3
SCHEMBL9030132 0.76 CHRM1 (0.59) CHRM1CHRM2CHRM4CHRM5CHRM3
SCHEMBL9779570 0.74 CHRM1 (0.37) CHRM1ALDH1A1

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-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
US-4996201-A Alzheimer's disease WARNER-LAMBERT CO. (US) 1991-02-26 US disclosed
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 disclosed