⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7614901 | 0.69 | PKM (0.39) | — | |
| SCHEMBL5551879 | 0.67 | — | — | |
| SCHEMBL9814900 | 0.64 | — | — | |
| SCHEMBL2918041 | 0.62 | — | — | |
| SCHEMBL4914776 | 0.61 | LMNA (0.37) | — | |
| SCHEMBL27469859 | 0.58 | — | — | |
| SCHEMBL1123731 | 0.58 | PKM (0.35) | — | |
| SCHEMBL8952367 | 0.58 | ADRA1D (0.33) | — | |
| SCHEMBL190504 | 0.58 | — | — | |
| SCHEMBL8738592 | 0.56 | ADRA2C (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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2563126-B1 | HETEROCYCLIC QUINOLIZINE DERIVED M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS | MERCK SHARP & DOHME (US) | 2016-05-11 | — | — | EP | disclosed |
| US-8507494-B2 | Heterocyclic quinolizine derived M1 receptor positive allosteric modulators | MERCK SHARP & DOHME CORP. (US) | 2013-08-13 | — | — | US | disclosed |
| EP-2563126-A1 | HETEROCYCLIC QUINOLIZINE DERIVED M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS | Merck Sharp & Dohme Corp. (US) | 2013-03-06 | — | — | EP | disclosed |
| US-20130040959-A1 | Heterocyclic Quinolizine Derived M1 Receptor Positive Allosteric Modulators | MERCK SHARP & DOHME LLC | 2013-02-14 | — | — | US | disclosed |
| WO-2011137049-A1 | HETEROCYCLIC QUINOLIZINE DERIVED M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS | MERCK SHARP & DOHME CORP. (US) | 2011-11-03 | — | — | WO | disclosed |