⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14423322 | 0.67 | — | — | |
| SCHEMBL22267855 | 0.62 | — | — | |
| SCHEMBL18921038 | 0.60 | HSD11B1 (0.35) | — | |
| SCHEMBL12894403 | 0.59 | — | — | |
| SCHEMBL19257654 | 0.58 | HSD11B1 (0.34) | — | |
| SCHEMBL21360926 | 0.58 | DPP4 (0.32) | — | |
| SCHEMBL10705311 | 0.56 | — | — | |
| SCHEMBL15692448 | 0.56 | MEN1 (0.34) | — | |
| SCHEMBL12695659 | 0.56 | — | — | |
| SCHEMBL9853489 | 0.55 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2496579-B1 | 1-SUBSTITUTED 2-AZABICYCLO[3.1.1]HEPTYL DERIVATIVES USEFUL AS NICOTINIC ACETYLCHOLINE RECEPTOR MODULATORS FOR TREATING NEUROLOGIC DISORDERS | UNIV GENT (BE) | 2015-10-21 | — | — | EP | disclosed |
| US-8809365-B2 | 1-substituted 2-azabicyclo [3.1.1] heptyl derivatives useful as nicotinic acetylcholine receptor modulators for treating neurologic disorders | UNIVERSITEIT GENT (BE) | 2014-08-19 | — | — | US | disclosed |
| US-20120245196-A1 | 1-SUBSTITUTED 2-AZABICYCLO [3.1.1] HEPTYL DERIVATIVES USEFUL AS NICOTINIC ACETYLCHOLINE RECEPTOR MODULATORS FOR TREATING NEUROLOGIC DISORDERS | UNIVERSITEIT GENT (BE) | 2012-09-27 | — | — | US | disclosed |
| WO-2011054885-A1 | 1-SUBSTITUTED 2-AZABICYCLO [3.1.1] HEPTYL DERIVATIVES USEFUL AS NICOTINIC ACETYLCHOLINE RECEPTOR MODULATORS FOR TREATING NEUROLOGIC DISORDERS | UNIVERSITEIT GENT (BE) | 2011-05-12 | — | — | WO | disclosed |