⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15212521 | 0.74 | RORC (0.45) | — | |
| SCHEMBL15212230 | 0.73 | OPRM1 (0.40) | — | |
| Trifluoroacetic Acid SCHEMBL15212364 | 0.73 | PDE2A (0.32) | — | |
| SCHEMBL23467101 | 0.68 | ALOX15 (0.34) | — | |
| SCHEMBL23112641 | 0.67 | HSD11B1 (0.35) | — | |
| SCHEMBL19207527 | 0.67 | OPRM1 (0.35) | — | |
| SCHEMBL1309421 | 0.67 | MC4R (0.38) | — | |
| SCHEMBL1312434 | 0.66 | CYP2C9 (0.37) | — | |
| SCHEMBL28555238 | 0.66 | RORC (0.44) | — | |
| SCHEMBL14247005 | 0.66 | OPRL1 (0.48) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3321257-A1 | SUBSTITUTED 5-AMINOTHIENO[2,3-C]PYRIDAZINE-6-CARBOXAMIDE ANALOGS AS POSITIVE ALLOSTERIC MODULATORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M4 | Vanderbilt University (US) | 2018-05-16 | — | — | EP | disclosed |
| US-9868746-B2 | Substituted 5-aminothieno[2,3-C]pyridazine-6-carboxamide analogs as positive allosteric modulators of the muscarinic acetylcholine receptor M4 | VANDERBILT UNIVERSITY (US) | 2018-01-16 | — | — | US | disclosed |
| EP-2817295-B1 | SUBSTITUTED 5-AMINOTHIENO[2,3-C]PYRIDAZINE-6-CARBOXAMIDE ANALOGS AS POSITIVE ALLOSTERIC MODULATORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M4 | UNIV VANDERBILT (US) | 2017-11-01 | — | — | EP | disclosed |
| US-20170022216-A1 | SUBSTITUTED 5-AMINOTHIENO[2,3-C]PYRIDAZINE-6-CARBOXAMIDE ANALOGS AS POSITIVE ALLOSTERIC MODULATORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M4 | VANDERBILT UNIVERSITY | 2017-01-26 | — | — | US | disclosed |
| US-9493481-B2 | Substituted 5-aminothieno[2,3—C]pyridazine-6-carboxamide analogs as positive allosteric modulators of the muscarinic acetylcholine receptor M4 | VANDERBILT UNIVERSITY (US) | 2016-11-15 | — | — | US | disclosed |
| EP-2817295-A1 | SUBSTITUTED 5-AMINOTHIENO[2,3-C]PYRIDAZINE-6-CARBOXAMIDE ANALOGS AS POSITIVE ALLOSTERIC MODULATORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M4 | Vanderbilt University (US) | 2014-12-31 | — | — | EP | disclosed |
| WO-2013126856-A1 | SUBSTITUTED 5-AMINOTHIENO[2,3-C]PYRIDAZINE-6-CARBOXAMIDE ANALOGS AS POSITIVE ALLOSTERIC MODULATORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M4 | VANDERBILT UNIVERSITY (US) | 2013-08-29 | — | — | WO | disclosed |