⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1334685 | 0.91 | — | — | |
| SCHEMBL2083702 | 0.79 | CYP11B2 (0.62) | — | |
| SCHEMBL18081197 | 0.75 | CHRNB2 (0.37) | — | |
| SCHEMBL5027726 | 0.75 | — | — | |
| SCHEMBL2081767 | 0.74 | SLC6A2 (0.43) | — | |
| SCHEMBL3823024 | 0.74 | CYP11B2 (0.50) | — | |
| SCHEMBL2081820 | 0.74 | HSD11B1 (0.36) | — | |
| SCHEMBL12533786 | 0.73 | CYP2A6 (0.33) | — | |
| SCHEMBL12533784 | 0.73 | CYP2A6 (0.33) | — | |
| SCHEMBL12533785 | 0.73 | CYP2A6 (0.33) | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7897611-B2 | Pharmaceutical compositions and methods for relieving pain and treating central nervous system disorders | TARGACEPT, INC. (US) | 2011-03-01 | — | — | US | disclosed |
| US-20100179183-A1 | PHARMACEUTICAL COMPOSITIONS AND METHODS FOR RELIEVING PAIN AND TREATING CENTRAL NERVOUS SYSTEM DISORDERS | TARGACEPT, INC. (US) | 2010-07-15 | — | — | US | disclosed |
| US-20100152228-A1 | PHARMACEUTICAL COMPOSITIONS AND METHODS FOR RELIEVING PAIN AND TREATING CENTRAL NERVOUS SYSTEM DISORDERS | TARGACEPT, INC. (US) | 2010-06-17 | — | — | US | disclosed |
| EP-1678172-B1 | AZABICYCLIC COMPOUNDS FOR RELIEVING PAIN AND TREATING CENTRAL NERVOUS SYSTEM DISORDERS | TARGACEPT INC (US) | 2009-12-09 | — | — | EP | disclosed |
| US-20080242693-A1 | Pharmaceutical Compositions and Methods for Relieving Pain and Treating Central Nervous System Disorders | TARGACEPT, INC. (US) | 2008-10-02 | — | — | US | disclosed |
| US-7402592-B2 | Pharmaceutical compositions and methods for relieving pain and treating central nervous system disorders | TARGACEPT, INC. (US) | 2008-07-22 | — | — | US | disclosed |
| US-20050282823-A1 | PHARMACEUTICAL COMPOSITIONS AND METHODS FOR RELIEVING PAIN AND TREATING CENTRAL NERVOUS SYSTEM DISORDERS | TARGACEPT, INC. (US) | 2005-12-22 | — | — | US | disclosed |