SCHEMBL9430908

SCHEMBL9430908

Clc1cccc(C2CN3CCC2CC3)n1

nearest known ligand 0.63

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 1/20 0.49
CHRM2 P08172 2/20 0.44
CHRM4 P08173 2/20 0.44
CHRM5 P08912 2/20 0.44
CHRM1 P11229 2/20 0.44
CHRM3 P20309 2/20 0.44
HTR3E A5X5Y0 1/20 0.40
MEN1 O00255 1/20 0.40
HTR3B O95264 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
ALOX15 P16050 1/20 0.40
TSHR P16473 1/20 0.40
NFKB1 P19838 1/20 0.40
HTR3A P46098 1/20 0.40
KMT2A Q03164 1/20 0.40
HTR3D Q70Z44 1/20 0.40
HTR3C Q8WXA8 1/20 0.40

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
Oxalic Acid SCHEMBL9677370 0.92 CHRNA7 (0.45) CHRNA7CHRM2CHRM4CHRM5CHRM1
SCHEMBL9430775 0.84 CHRNA7 (0.49) CHRNA7CHRM2CHRM4CHRM5CHRM1
SCHEMBL9431318 0.81 CHRNA7 (0.49) CHRNA7CHRM2CHRM4CHRM5CHRM1
SCHEMBL2968389 0.77 CHRNA7 (0.41) CHRNA7
SCHEMBL5025977 0.77 CHRNA7 (0.41) CHRNA7
SCHEMBL9431645 0.77 CHRNA7 (0.45) CHRNA7CHRM2CHRM4CHRM5CHRM1
SCHEMBL9431123 0.77 CHRNA7 (0.45) CHRNA7CHRM2CHRM4CHRM5CHRM1
SCHEMBL9431139 0.74 CHRNA7 (0.42) CHRNA7
SCHEMBL9431132 0.73 CHRNA7 (0.56) CHRNA7CHRM2CHRM4CHRM5CHRM1
SCHEMBL6345310 0.73 CHRNA7 (0.51) CHRNA7CHRM2CHRM4CHRM5CHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0492902-A1 Substituted pyridine derivatives for use in the treatment of glaucoma MERCK SHARP & DOHME LTD. (GB) 1992-07-01 EP claimed
EP-0412798-A2 Substituted pyridines, their preparation, formulations and use in dementia MERCK SHARP & DOHME LTD. (GB) 1991-02-13 EP claimed
JP-3135978-A None JP disclosed
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-0492902-A1 Substituted pyridine derivatives for use in the treatment of glaucoma MERCK SHARP & DOHME LTD. (GB) 1992-07-01 EP disclosed
JP-H03135978-A SUBSTITUTED PYRIDINES, THEIR PRODUCTIONS, FORMULATION AND USE FOR DEMENTIA MERCK SHARP & DOHME LTD 1991-06-10 JP disclosed
EP-0412798-A2 Substituted pyridines, their preparation, formulations and use in dementia MERCK SHARP & DOHME LTD. (GB) 1991-02-13 EP disclosed