SCHEMBL9779592

SCHEMBL9779592

COC(=O)N(C)CC#CCN(C)CCCO

nearest known ligand 0.61

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 1/20 0.35
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
LSS P48449 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
SCHEMBL9779511 0.95 CHRM1 (0.34) CHRM1MEN1KMT2A
SCHEMBL9779728 0.79 CHRM1 (0.44) CHRM1MEN1KMT2A
SCHEMBL9851686 0.79 CHRM1 (0.34) CHRM1
SCHEMBL22282294 0.78 LMNA (0.40) CHRM1MEN1KMT2A
SCHEMBL9851680 0.78 PAOX (0.35) CHRM1
SCHEMBL9779487 0.76 CHRM1 (0.59) CHRM1
SCHEMBL9779570 0.76 CHRM1 (0.37) CHRM1
SCHEMBL9779578 0.74 CHRM1 (0.42) CHRM1
SCHEMBL9779622 0.73 CHRM1 (0.41) CHRM1
SCHEMBL9779405 0.72 CHRM1 (0.50) CHRM1MEN1KMT2A

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