SCHEMBL9430962

SCHEMBL9430962

ClC1(c2ccccn2)CN2CCC1CC2

nearest known ligand 0.66

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 7/20 0.66
CHRM3 P20309 7/20 0.66
CHRM4 P08173 4/20 0.66
CHRM5 P08912 4/20 0.66
CHRM1 P11229 4/20 0.66
HTR3A P46098 4/20 0.43
CHRNB2 P17787 1/20 0.43
CHRNA7 P36544 1/20 0.43
CHRNA4 P43681 1/20 0.43
GRIN1 Q05586 1/20 0.40
GRIN2A Q12879 1/20 0.40
GRIN2B Q13224 1/20 0.40
CXCR3 P49682 1/20 0.37

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
SCHEMBL9430809 0.79 CHRM1 (1.00) CHRM2CHRM3CHRM4CHRM5CHRM1
SCHEMBL9430920 0.73 CHRM2 (0.44) CHRM2CHRM3CHRM4CHRM5CHRM1
Hydrochloric Acid SCHEMBL9432547 0.72 CHRM2 (0.43) CHRM2CHRM3CHRM4CHRM5CHRM1
SCHEMBL9632990 0.71 KDM1A (0.40) CHRM2CHRM3CHRM4CHRM5CHRM1
SCHEMBL9225450 0.71 CHRM2 (0.37) CHRM2CHRM3CHRM4CHRM5CHRM1
SCHEMBL9458894 0.71 HTR3A (0.43) CHRM2CHRM3CHRM4CHRM5CHRM1
SCHEMBL9459215 0.69 HTR3A (0.39) CHRM2CHRM3CHRM4CHRM5CHRM1
SCHEMBL9458887 0.68 HTR3A (0.44) CHRM2CHRM3CHRM4CHRM5CHRM1
SCHEMBL14808736 0.68 CHRM2 (0.52) CHRM2CHRM3CHRM4CHRM5CHRM1
SCHEMBL9229628 0.67 CHRM2 (0.35) CHRM2CHRM3CHRM4CHRM5CHRM1

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