⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL160277 | 0.72 | — | — | |
| SCHEMBL31176196 | 0.65 | — | — | |
| SCHEMBL10242311 | 0.64 | COMT (0.43) | — | |
| SCHEMBL2499029 | 0.64 | — | — | |
| SCHEMBL11367234 | 0.64 | — | — | |
| Bromide SCHEMBL2445772 | 0.62 | COMT (0.42) | — | |
| SCHEMBL2745154 | 0.61 | — | — | |
| SCHEMBL3191539 | 0.61 | L3MBTL1 (0.33) | — | |
| SCHEMBL19229559 | 0.60 | MAPK1 (0.36) | — | |
| SCHEMBL3148508 | 0.57 | — | — |
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-20010031758-A1 | Substituted 9H-pyridino[2,3-b] indole and 9H-pyrimidino[4,5-b] indole derivatives: selective neuropeptide Y receptor ligands | NEUROGEN CORPORATION | 2001-10-18 | — | — | US | claimed |
| WO-1999051598-A1 | SUBSTITUTED 9H-PYRIDINO[2,3-b]INDOLE AND 9H-PYRIMIDINO[4,5-b]INDOLE DERIVATIVES: SELECTIVE NEUROPEPTIDE y RECEPTOR LIGANDS | NEUROGEN CORPORATION (US) | 1999-10-14 | — | — | WO | claimed |