SCHEMBL9779398

SCHEMBL9779398

CCN(CC)CC#CCC(C)NC(=O)O

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 2/20 0.46
CHRM4 P08173 2/20 0.46
CHRM5 P08912 2/20 0.46
CHRM1 P11229 2/20 0.46
CHRM3 P20309 2/20 0.46
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
GAA P10253 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.33
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
NPY2R P49146 1/20 0.31
ALDH1A1 P00352 1/20 0.31

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
SCHEMBL9779486 0.86 CHRM1 (0.42) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL9779645 0.85 CHRM1 (0.32) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL9779732 0.74 MEN1 (0.35) MEN1KMT2ACYP2C9CYP2C19ALDH1A1
SCHEMBL23293009 0.74 CYP2D6 (0.33) CYP2D6CYP2C19
SCHEMBL9779588 0.73
SCHEMBL9779510 0.72
SCHEMBL17407569 0.71 CHRM2 (0.45) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL14065568 0.68 LMNA (0.52) MEN1KMT2AALDH1A1
SCHEMBL9030866 0.68 CHRM1 (0.48) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL16648848 0.67

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