⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2370207 | 0.70 | CPA1 (0.37) | — | |
| SCHEMBL22469164 | 0.70 | CPA1 (0.37) | — | |
| SCHEMBL29662747 | 0.70 | ASAH1 (0.34) | — | |
| SCHEMBL2792016 | 0.69 | ITGB3 (0.33) | — | |
| SCHEMBL211054 | 0.68 | CTSK (0.45) | — | |
| SCHEMBL211053 | 0.68 | CTSK (0.45) | — | |
| SCHEMBL12290180 | 0.68 | CTSK (0.45) | — | |
| SCHEMBL263735 | 0.68 | TDP1 (0.38) | — | |
| SCHEMBL20974390 | 0.67 | — | — | |
| SCHEMBL2237272 | 0.66 | KDM4E (0.37) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8133908-B2 | Heteroaryl derivatives of N-{[(1S,4S,6S)-3-(2-pyridinylcarbonyl)-3-azabicyclo[4.1.0]hept-4-yl]methyl}-2-amine | GLAXO GROUP LIMITED (GB) | 2012-03-13 | — | — | US | disclosed |
| US-20120040991-A1 | 3-AZABICYCLO [4.1.0] HEPTANES USED AS OREXIN ANTAGONISTS | GLAXO GROUP LIMITED (GB) | 2012-02-16 | — | — | US | disclosed |