SCHEMBL9430901

SCHEMBL9430901

CCOc1cncc(C2CN3CCC2CC3)c1

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 3/20 0.49
CHRNA4 P43681 3/20 0.49
CHRNB4 P30926 2/20 0.49
CHRNA3 P32297 2/20 0.49
TLR7 Q9NYK1 7/20 0.44
CHRNA7 P36544 1/20 0.42

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
SCHEMBL9431093 0.85 CHRNB2 (0.46) CHRNB2CHRNA4CHRNB4CHRNA3TLR7
SCHEMBL7221390 0.71 CHRNB2 (0.48) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL9458669 0.71 CHRNA7 (0.56) CHRNA7
Hydrochloric Acid SCHEMBL5373350 0.70 CHRNB2 (0.47) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL9494114 0.70 CHRNA7 (0.51) CHRNB2CHRNA4CHRNA7
SCHEMBL9459255 0.68 CHRNA7 (0.53) CHRNA7
SCHEMBL5175183 0.68 CHRNB2 (0.42) CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL3819558 0.68 CYP11B1 (0.51) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL23764016 0.68 CHRNA7 (0.49) TLR7CHRNA7
SCHEMBL9224566 0.68

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-0412798-A2 Substituted pyridines, their preparation, formulations and use in dementia MERCK SHARP & DOHME LTD. (GB) 1991-02-13 EP claimed
US-5346906-A Enhancement of cholinergic transmitters in treatment of neurological and mental disorders such as Alzheimer's MERCK SHARPE & DOHME LTD. (GB) 1994-09-13 US disclosed
EP-0412798-A2 Substituted pyridines, their preparation, formulations and use in dementia MERCK SHARP & DOHME LTD. (GB) 1991-02-13 EP disclosed