SCHEMBL9849965

SCHEMBL9849965

O=C(O)C1=CCC2CCC1N2

nearest known ligand 0.71

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 4/20 0.71
CHRNB2 P17787 3/20 0.71
CHRNA4 P43681 3/20 0.71
ALDH1A1 P00352 1/20 0.50
CHRNA1 P02708 1/20 0.31
CHRNB4 P30926 1/20 0.31
CHRNA3 P32297 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
SCHEMBL25658 1.00 CHRNA7 (0.71) CHRNA7CHRNB2CHRNA4ALDH1A1CHRNA1
Hydrochloric Acid SCHEMBL6154466 0.98 CHRNB2 (0.69) CHRNA7CHRNB2CHRNA4ALDH1A1CHRNA1
SCHEMBL16592137 0.79 CHRNB2 (0.68) CHRNA7CHRNB2CHRNA4ALDH1A1
SCHEMBL4681435 0.78 CHRNB2 (0.45) CHRNA7CHRNB2CHRNA4ALDH1A1
SCHEMBL9041158 0.75 CHRNB2 (0.62) CHRNA7CHRNB2CHRNA4ALDH1A1
SCHEMBL160708 0.67 CHRNB2 (1.00) CHRNA7CHRNB2CHRNA4ALDH1A1CHRNA1
SCHEMBL13589890 0.67 CHRNB2 (1.00) CHRNA7CHRNB2CHRNA4ALDH1A1CHRNA1
SCHEMBL21307962 0.67 CHRNB2 (1.00) CHRNA7CHRNB2CHRNA4ALDH1A1CHRNA1
SCHEMBL29484643 0.67 CHRNB2 (1.00) CHRNA7CHRNB2CHRNA4ALDH1A1CHRNA1
Fumaric Acid SCHEMBL29615612 0.64 CHRNB2 (0.82) CHRNA7CHRNB2CHRNA4ALDH1A1CHRNA1

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-0445731-A1 Azabicyclo and azacyclo oxime and amine cholinergic agents and pharmaceutically acceptable salts thereof WARNER-LAMBERT COMPANY (US) 1991-09-11 EP disclosed