SCHEMBL9430951

SCHEMBL9430951

CCOc1cncc(C2(O)CN3CCC2CC3)c1

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 4/20 0.52
CHRM2 P08172 3/20 0.52
CHRM4 P08173 3/20 0.52
CHRM5 P08912 3/20 0.52
CHRM3 P20309 3/20 0.52
KMT2A Q03164 1/20 0.46

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
SCHEMBL9430878 0.86 CHRM1 (0.56) CHRM1CHRM2CHRM4CHRM5CHRM3
SCHEMBL8685481 0.77 KMT2A (0.58) CHRM1CHRM2CHRM4CHRM5CHRM3
SCHEMBL9458699 0.75 CHRM1 (0.69) CHRM1CHRM2CHRM4CHRM5CHRM3
SCHEMBL9493275 0.73 KMT2A (0.55) CHRM1CHRM2CHRM4CHRM5CHRM3
SCHEMBL9458720 0.72 KMT2A (0.62) CHRM1CHRM2CHRM4CHRM5CHRM3
SCHEMBL9431134 0.70 CHRM1 (0.56) CHRM1CHRM2CHRM4CHRM5CHRM3
SCHEMBL23231749 0.70 CHRNB2 (0.38)
SCHEMBL8775534 0.69 KMT2A (0.48) CHRM1CHRM2CHRM4CHRM5CHRM3
SCHEMBL9430906 0.69 CHRM1 (1.00) CHRM1CHRM2CHRM4CHRM5CHRM3
SCHEMBL9492494 0.69 CHRM1 (0.56) CHRM1CHRM2CHRM4CHRM5CHRM3

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