⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7327638 | 0.76 | OPRM1 (0.31) | — | |
| SCHEMBL30962484 | 0.73 | — | — | |
| SCHEMBL26402968 | 0.73 | USP14 (0.38) | — | |
| SCHEMBL25043618 | 0.71 | SLC6A9 (0.30) | — | |
| SCHEMBL14755359 | 0.71 | — | — | |
| SCHEMBL3711969 | 0.68 | — | — | |
| SCHEMBL25328432 | 0.67 | USP14 (0.32) | — | |
| SCHEMBL9853466 | 0.67 | ALDH1A1 (0.30) | — | |
| SCHEMBL6576076 | 0.65 | — | — | |
| SCHEMBL3713626 | 0.64 | MEN1 (0.35) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20120094995-A1 | 2-AZA-BICYCLO[2.2.1]HEPTANE COMPOUNDS AND USES THEREOF | ASTRAZENECA AB (SE) | 2012-04-19 | — | — | US | disclosed |
| US-20120094995-A1 | 2-AZA-BICYCLO[2.2.1]HEPTANE COMPOUNDS AND USES THEREOF | ASTRAZENECA AB (SE) | 2012-04-19 | — | — | US | disclosed |
| US-20120094995-A1 | 2-AZA-BICYCLO[2.2.1]HEPTANE COMPOUNDS AND USES THEREOF | ASTRAZENECA AB (SE) | 2012-04-19 | — | — | US | disclosed |
| EP-2391628-A1 | 2-AZA-BICYCLOÝ2.2.1¨HEPTANE COMPOUNDS AND USES THEREOF | AstraZeneca AB (SE) | 2011-12-07 | — | — | EP | disclosed |
| WO-2010087762-A1 | 2-AZA-BICYCLO[2.2.1]HEPTANE COMPOUNDS AND USES THEREOF | ASTRAZENECA AB (SE) | 2010-08-05 | — | — | WO | disclosed |