⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14947631 | 0.83 | SLC6A2 (0.35) | — | |
| SCHEMBL14947629 | 0.82 | OPRM1 (0.37) | — | |
| SCHEMBL14947632 | 0.76 | CHRNB2 (0.36) | — | |
| SCHEMBL14935825 | 0.67 | OPRM1 (0.34) | — | |
| SCHEMBL12179217 | 0.66 | CHRNB2 (0.33) | — | |
| SCHEMBL14947638 | 0.65 | HRH3 (0.35) | — | |
| SCHEMBL14947639 | 0.64 | SLC6A2 (0.33) | — | |
| SCHEMBL17031750 | 0.64 | CYP1A2 (0.32) | — | |
| SCHEMBL14947627 | 0.63 | REN (0.37) | — | |
| SCHEMBL15533270 | 0.62 | S1PR1 (0.32) | — |
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-9365564-B2 | 3,3-disubstituted-(8-aza-bicyclo[3.2.1]oct-8-yl)-[5-(1H-pyrazol-4-yl)-thiophen-3-yl]-methanones as inhibitors of 11 (β)-HSD1 | THE UNIVERSITY OF EDINBURGH (GB) | 2016-06-14 | — | — | US | disclosed |
| US-20130123268-A1 | 3,3-DISUBSTITUTED-(8-AZA-BICYCLO[3.2.1]OCT-8-YL)-[5-(1H-PYRAZOL-4-YL)-THIOPHEN-3-YL]-METHANONES AS INHIBITORS OF 11 (BETA)-HSD1 | THE UNIVERSITY OF EDINBURGH (GB) | 2013-05-16 | — | — | US | disclosed |