⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL152217 | 0.77 | — | — | |
| SCHEMBL12539042 | 0.74 | BRS3 (0.32) | — | |
| SCHEMBL16294767 | 0.73 | GRM5 (0.30) | — | |
| SCHEMBL477882 | 0.72 | ADRB1 (0.36) | — | |
| SCHEMBL2125736 | 0.71 | — | — | |
| SCHEMBL409647 | 0.71 | — | — | |
| SCHEMBL304987 | 0.71 | CYP3A4 (0.33) | — | |
| SCHEMBL2193275 | 0.71 | NUDT1 (0.41) | — | |
| SCHEMBL14994712 | 0.71 | L3MBTL1 (0.33) | — | |
| SCHEMBL1182091 | 0.71 | NOS3 (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 |
|---|---|---|---|---|---|---|---|
| EP-2007750-B1 | AZABICYCLO [3. 1. 0] HEXYL DERIVATIVES AS MODULATORS OF DOPAMINE D3 RECEPTORS | GLAXO GROUP LTD (GB) | 2013-08-21 | — | — | EP | disclosed |
| US-7727988-B2 | Azabicyclo[3.1.0]hex-3-yl}alkyl)pyrimidinedione | GLAXO GROUP LIMITED (GB) | 2010-06-01 | — | — | US | disclosed |
| EP-2007750-A1 | AZABICYCLO [3. 1. 0] HEXYL DERIVATIVES AS MODULATORS OF DOPAMINE D3 RECEPTORS | GLAXO GROUP LIMITED (GB) | 2008-12-31 | — | — | EP | disclosed |
| US-20070249642-A1 | Azabicyclo[3.1.0]hex-3-yl}alkyl)pyrimidinedione | GLAXO GROUP LIMITED (GB) | 2007-10-25 | — | — | US | disclosed |
| WO-2007113232-A1 | AZABICYCLO [3. 1. 0] HEXYL DERIVATIVES AS MODULATORS OF DOPAMINE D3 RECEPTORS | GLAXO GROUP LIMITED (GB) | 2007-10-11 | — | — | WO | disclosed |