SCHEMBL9431471

SCHEMBL9431471

C1=C(c2ccccn2)C2CCN1CC2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CHRM2 P08172 15/20 1.00
▸ CHRM1 P11229 15/20 1.00
▸ CHRM4 P08173 14/20 1.00
▸ CHRM5 P08912 14/20 1.00
▸ CHRM3 P20309 14/20 1.00
▸ FDFT1 P37268 1/20 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
Hydrochloric Acid SCHEMBL9431085 0.98 CHRM2 (0.97) CHRM2CHRM1CHRM4CHRM5CHRM3
SCHEMBL9431541 0.91 CHRM2 (0.83) CHRM2CHRM1CHRM4CHRM5CHRM3
SCHEMBL9459078 0.76 CHRM2 (0.61) CHRM2CHRM1CHRM4CHRM5CHRM3
SCHEMBL9430934 0.73 CHRM2 (0.58) CHRM2CHRM1CHRM4CHRM5CHRM3
Hydrochloric Acid SCHEMBL9430991 0.72 CHRM2 (0.56) CHRM2CHRM1CHRM4CHRM5CHRM3
SCHEMBL9431020 0.69 CHRM2 (0.67) CHRM2CHRM1CHRM4CHRM5CHRM3
SCHEMBL9490433 0.69 CHRM2 (0.53) CHRM2CHRM1CHRM4CHRM5CHRM3
SCHEMBL9430633 0.69 CHRM2 (1.00) CHRM2CHRM1CHRM4CHRM5CHRM3
Dipyridyl SCHEMBL11226497 0.66 KDM4E (0.70) CHRM2CHRM1CHRM4CHRM5CHRM3
Dipyridyl SCHEMBL29351528 0.65 KDM4E (1.00) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
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
JP-5140158-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
JP-H05140158-A SUBSTITUTED PYRIDINE DERIVATIVE USEFUL IN TREATMENT OF GLAUCOMA MERCK SHARP & DOHME LTD 1993-06-08 — — JP disclosed
EP-0492902-A1 Substituted pyridine derivatives for use in the treatment of glaucoma MERCK SHARP & DOHME LTD. (GB) 1992-07-01 — — EP 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
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