⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
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.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL7543720 | 0.89 | CYP3A4 (0.33) | — | |
| SCHEMBL780365 | 0.82 | HTT (0.39) | — | |
| SCHEMBL7543722 | 0.82 | HTT (0.39) | — | |
| SCHEMBL7543729 | 0.82 | HTT (0.39) | — | |
| SCHEMBL31190321 | 0.82 | HTT (0.39) | — | |
| SCHEMBL23494117 | 0.81 | — | — | |
| SCHEMBL12791695 | 0.76 | — | — | |
| SCHEMBL31190302 | 0.75 | HCAR2 (0.35) | — | |
| SCHEMBL927594 | 0.74 | — | — | |
| SCHEMBL12791706 | 0.74 | CYP3A4 (0.31) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7872010-B2 | Substituted diazabicycloalkane derivatives having affinity for nicotinic acetylcholine receptors | ABBOTT LABORATORIES (US) | 2011-01-18 | — | — | US | disclosed |
| US-20080275048-A1 | Substituted Diazabicycloalkane Derivates | ABBOTT LABORATORIES (US) | 2008-11-06 | — | — | US | disclosed |
| US-7399765-B2 | Substituted diazabicycloalkane derivatives | ABBOTT LABORATORIES (US) | 2008-07-15 | — | — | US | disclosed |
| US-20050101602-A1 | For example, 3-(6-phenyl-pyridazin-3-yl)-3,8-diaza-bicyclo[3.2.1]octane; for treatment or prevention of conditions and disorders related to nAChR activity, and more particularly alpha 7 nAChR activity, such as attention deficit disorder, attention deficit hyperactivity disorder, Alzheimer's disease | ABBVIE INC. | 2005-05-12 | — | — | US | disclosed |