⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5172914 | 0.70 | KDM5A (0.30) | — | |
| SCHEMBL3463905 | 0.63 | SMYD3 (0.31) | — | |
| SCHEMBL16797026 | 0.59 | NR1H4 (0.38) | — | |
| SCHEMBL3464298 | 0.59 | MAPK1 (0.35) | — | |
| SCHEMBL1616625 | 0.59 | CHRNA1 (0.31) | — | |
| SCHEMBL3463182 | 0.58 | — | — | |
| SCHEMBL1557076 | 0.55 | ALDH1A1 (0.48) | — | |
| SCHEMBL1555899 | 0.55 | PRMT5 (0.33) | — | |
| SCHEMBL17281306 | 0.54 | NR1H4 (0.40) | — | |
| SCHEMBL3464450 | 0.54 | — | — |
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-1784184-A2 | THE USE OF N-ARYL DIAZASPIRACYCLIC COMPOUNDS IN THE TREATMENT OF ADDICTION | Targacept, Inc. (US) | 2007-05-16 | — | — | EP | claimed |
| WO-2006023630-A2 | THE USE OF N-ARYL DIAZASPIRACYCLIC COMPOUNDS IN THE TREATMENT OF ADDICTION | TARGACEPT, INC. (US) | 2006-03-02 | — | — | WO | claimed |
| EP-1784184-A2 | THE USE OF N-ARYL DIAZASPIRACYCLIC COMPOUNDS IN THE TREATMENT OF ADDICTION | Targacept, Inc. (US) | 2007-05-16 | — | — | EP | disclosed |
| WO-2006023630-A2 | THE USE OF N-ARYL DIAZASPIRACYCLIC COMPOUNDS IN THE TREATMENT OF ADDICTION | TARGACEPT, INC. (US) | 2006-03-02 | — | — | WO | disclosed |