⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12253603 | 0.81 | — | — | |
| SCHEMBL14826537 | 0.80 | L3MBTL3 (0.31) | — | |
| SCHEMBL24801828 | 0.77 | VNN1 (0.31) | — | |
| SCHEMBL27406479 | 0.77 | VNN1 (0.31) | — | |
| SCHEMBL31621433 | 0.77 | KMT2A (0.37) | — | |
| SCHEMBL14826539 | 0.74 | — | — | |
| SCHEMBL26788306 | 0.72 | KMT2A (0.33) | — | |
| SCHEMBL14339514 | 0.72 | LSS (0.35) | — | |
| SCHEMBL14826535 | 0.72 | OPRM1 (0.36) | — | |
| SCHEMBL25862156 | 0.71 | KMT2A (0.41) | — |
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-8669255-B2 | Substituted octahydropyrrolo[1,2-a]pyrazines as calcium channel blockers | ABBVIE INC. (US) | 2014-03-11 | — | — | US | disclosed |
| US-20130085142-A1 | SUBSTITUTED OCTAHYDROPYRROLO[1,2-a]PYRAZINES AS CALCIUM CHANNEL BLOCKERS | ABBVIE INC. (US) | 2013-04-04 | — | — | US | disclosed |