SCHEMBL9217890

SCHEMBL9217890

NC(=O)/C=C1\CN2CCC1CC2

nearest known ligand 0.70

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 5/20 0.70
CHRNA4 P43681 3/20 0.70
CHRNA3 P32297 4/20 0.44
CHRNA7 P36544 2/20 0.44
CHRNB4 P30926 2/20 0.44

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
SCHEMBL9217892 1.00 CHRNB2 (0.70) CHRNB2CHRNA4CHRNA3CHRNA7CHRNB4
SCHEMBL4278182 0.84 CHRNB2 (0.70) CHRNB2CHRNA4CHRNA3CHRNA7CHRNB4
SCHEMBL4278185 0.84 CHRNB2 (0.70) CHRNB2CHRNA4CHRNA3CHRNA7CHRNB4
SCHEMBL8713166 0.82 CHRNB2 (1.00) CHRNB2CHRNA4CHRNA3CHRNA7CHRNB4
Hydrochloric Acid SCHEMBL2422984 0.82 CHRNB2 (0.68) CHRNB2CHRNA4CHRNA3CHRNA7CHRNB4
Hydrochloric Acid SCHEMBL2421934 0.82 CHRNB2 (0.68) CHRNB2CHRNA4CHRNA3CHRNA7CHRNB4
SCHEMBL8713172 0.82 CHRNB2 (1.00) CHRNB2CHRNA4CHRNA3CHRNA7CHRNB4
SCHEMBL8713445 0.82 CHRNB2 (1.00) CHRNB2CHRNA4CHRNA3CHRNA7CHRNB4
SCHEMBL12614211 0.78 CHRNB2 (0.67) CHRNB2CHRNA4CHRNA3CHRNA7CHRNB4
SCHEMBL7490432 0.78 CHRNB2 (0.62) CHRNB2CHRNA4CHRNA3CHRNA7CHRNB4

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0414394-B1 Azabicyclic Derivatives having muscarinic receptor affinity BEECHAM GROUP PLC (GB) 1995-07-05 EP disclosed
EP-0414394-A2 Azabicyclic Derivatives having muscarinic receptor affinity BEECHAM GROUP PLC (GB) 1991-02-27 EP disclosed