⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4975384 | 0.78 | NR1H2 (0.34) | — | |
| SCHEMBL27967056 | 0.77 | — | — | |
| SCHEMBL7018661 | 0.76 | ALDH1A1 (0.37) | — | |
| SCHEMBL6770789 | 0.73 | LIMK1 (0.33) | — | |
| SCHEMBL25148351 | 0.70 | HTR1A (0.30) | — | |
| SCHEMBL31659918 | 0.70 | HTR1A (0.30) | — | |
| SCHEMBL29506598 | 0.70 | ADRA2C (0.39) | — | |
| SCHEMBL31378724 | 0.70 | NOS3 (0.35) | — | |
| SCHEMBL1952621 | 0.70 | ADRA2C (0.39) | — | |
| SCHEMBL20648805 | 0.69 | ADRA2C (0.31) | — |
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-6762192-B2 | USEFUL IN THERAPY AND PROPHYLAXIS OF EPILEPSY, MIGRAINE, AND OTHER DISORDERS | SMITHKLINE BEECHUM P.L.C. (GB) | 2004-07-13 | — | — | US | disclosed |
| EP-1084122-B1 | TETRAHYDRONAPHTHYRIDINYL-CARBOXAMIDES HAVING ANTI-CONVULSANT ACTIVITY | SMITHKLINE BEECHAM PLC (GB) | 2003-10-22 | — | — | EP | disclosed |
| US-20020143029-A1 | Tetrahydronaphthyridinyl-carboxamides having anti-convulsant activity | SMITHKLINE BEECHAM P.L.C. | 2002-10-03 | — | — | US | disclosed |
| US-6410555-B1 | ANTIEPILEPTIC AGENTS; HEADACHES | SMITHKLINE BEECHAM P.L.C. (GB) | 2002-06-25 | — | — | US | disclosed |
| EP-1084122-A1 | TETRAHYDRONAPHTHYRIDINYL-CARBOXAMIDES HAVING ANTI-CONVULSANT ACTIVITY | SMITHKLINE BEECHAM PLC (GB) | 2001-03-21 | — | — | EP | disclosed |
| WO-2000007993-A1 | SUBSTITUTED ISOQUINOLEINES AND THEIR USE AS ANTICONVULSIVANTS | SMITHKLINE BEECHAM PLC (GB) | 2000-02-17 | — | — | WO | disclosed |
| WO-1999065903-A1 | TETRAHYDRONAPHTHYRIDINYL-CARBOXAMIDES HAVING ANTI-CONVULSANT ACTIVITY | SMITHKLINE BEECHAM PLC (GB) | 1999-12-23 | — | — | WO | disclosed |