SCHEMBL9851686

SCHEMBL9851686

COC(=O)N(C)CC#CCNCCCCO

nearest known ligand 0.59

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 1/20 0.34
POLB P06746 1/20 0.33
PAOX Q6QHF9 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
LMNA P02545 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
SCHEMBL9851680 0.98 PAOX (0.35) CHRM1POLBPAOXTDP1
SCHEMBL9851792 0.81 CHRM1 (0.37) CHRM1PAOX
SCHEMBL9779511 0.81 CHRM1 (0.34) CHRM1LMNA
SCHEMBL9779592 0.79 CHRM1 (0.35) CHRM1
SCHEMBL9779487 0.75 CHRM1 (0.59) CHRM1KDM4EALDH1A1
SCHEMBL9779578 0.73 CHRM1 (0.42) CHRM1
SCHEMBL9779622 0.72 CHRM1 (0.41) CHRM1
SCHEMBL9779728 0.70 CHRM1 (0.44) CHRM1
SCHEMBL9779405 0.70 CHRM1 (0.50) CHRM1ALDH1A1LMNA
SCHEMBL11728208 0.70 CHRM1 (0.53) CHRM1PAOXALDH1A1

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 disclosed