Known targets — ChEMBL curated mechanism
ACHEBDKRB2CHRM1CHRM2CHRM3CHRNA1CHRNB1CHRNDCHRNECHRNGGUCY1A1GUCY1A2GUCY1B1GUCY1B2NAMPTPTAFRSLC10A2SLC6A2SLC6A3TACR1dacAdacBdacCftsImrcAmrcBmrdA
The experimentally established mechanism targets of Hydrochloric Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8835188 | 0.96 | — | — | |
| SCHEMBL693917 | 0.92 | GSK3B (1.00) | — | |
| SCHEMBL7021498 | 0.92 | — | — | |
| SCHEMBL33524954 | 0.92 | — | — | |
| SCHEMBL1599522 | 0.92 | — | — | |
| SCHEMBL715867 | 0.92 | GSK3B (1.00) | — | |
| Charcoal, Activated SCHEMBL8357494 | 0.88 | — | — | |
| Water SCHEMBL7139391 | 0.88 | GSK3A (0.92) | — | |
| SCHEMBL6513348 | 0.88 | GSK3A (0.92) | — | |
| Ammonia Solution, Strong SCHEMBL4263587 | 0.88 | — | — |
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 35 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8283474-B2 | Azabicyclo (3.1.0) hexane derivatives useful as modulators of dopamine D3 receptors | GLAXO GROUP LIMITED (GB) | 2012-10-09 | — | — | US | disclosed |
| CN-101291669-B | Use of azabicyclo hexane derivatives | GLAXO GROUP LTD | 2012-09-26 | — | — | CN | disclosed |
| US-8263782-B2 | Azabicyclo (3.1.0) hexane derivatives useful as modulators of dopamine D3 receptors | GLAXO GROUP LIMITED (GB) | 2012-09-11 | — | — | US | disclosed |
| US-20120196910-A1 | USE OF AZABICYCLO HEXANE DERIVATIVES | HAMPRECHT DIETER (IT) | 2012-08-02 | — | — | US | disclosed |
| EP-2060570-B1 | Azabicyclo[3.1.0] hexane derivatives useful as modulators of dopamine D3 receptors | GLAXO GROUP LTD (GB) | 2012-01-25 | — | — | EP | disclosed |
| EP-1917013-B1 | USE OF AZABICYCLO HEXANE DERIVATIVES | GLAXO GROUP LTD (GB) | 2011-03-09 | — | — | EP | disclosed |
| US-7875643-B2 | (1S,5R)-1-[2-fluoro-4-(trifluoromethyl)phenyl]-3-{3-[(4-methyl-5-phenyl-4H-1,2,4-triazol-3-yl)oxy]propyl}-3-azabicyclo[3.1.0]hexane; or(1S,5R)-3-{3-[(4-methyl-5-phenyl-4H-1,2,4-triazol-3-yl)oxy]propyl}-1-[4-(trifluoromethyl)phenyl]-3-azabicyclo[3.1.0]hexane; schizophrenia | GLAXO GROUP LIMITED (GB) | 2011-01-25 | — | — | US | disclosed |
| EP-1871768-B1 | AZABICYCLO (3.1.0) HEXANE DERIVATIVES USEFUL AS MODULATORS OF DOPAMINE D3 RECEPTORS | GLAXO GROUP LTD (GB) | 2010-12-29 | — | — | EP | disclosed |
| US-7855298-B2 | Azabicyclo (3.1.0.) hexane derivatives useful as modulators of dopamine D3 receptors | GLAXO GROUP LIMITED (GB) | 2010-12-21 | — | — | US | disclosed |
| US-7803820-B2 | 3-triazolylthiaalkyl-3-azabicyclo (3-1-O) hexanes and their use as dopamine D3 receptor ligands | GLAXO GROUP LIMITED (GB) | 2010-09-28 | — | — | US | disclosed |
| EP-1917013-A1 | USE OF AZABICYCLO HEXANE DERIVATIVES | GLAXO GROUP LIMITED (GB) | 2008-05-07 | — | — | EP | disclosed |
| EP-1871768-A1 | AZABICYCLO (3.1.0) HEXANE DERIVATIVES USEFUL AS MODULATORS OF DOPAMINE D3 RECEPTORS | GLAXO GROUP LIMITED (GB) | 2008-01-02 | — | — | EP | disclosed |
| EP-1869018-A1 | 3-TRIAZOLYLTHIOALKYL-3-AZABICYCLO (3 - 1 - O) HEXANES AND THEIR USE AS DOPAMINE D3 RECEPTOR LIGANDS | GLAXO GROUP LIMITED (GB) | 2007-12-26 | — | — | EP | disclosed |
| US-20070142438-A1 | Azabicyclo (3.1.0.) hexane derivatives useful as modulators of dopamine d3 receptors | GLAXO GROUP LIMITED (GB) | 2007-06-21 | — | — | US | disclosed |
| WO-2007022934-A2 | AZABICYCLO (3, 1, 0) HEXAN DERIVATIVES USEFUL AS MODULATORS OF DOPAMINE D3 RECEPTORS | GLAXO GROUP LIMITED (GB) | 2007-03-01 | — | — | WO | disclosed |
| WO-2007022980-A1 | USE OF AZABICYCLO HEXANE DERIVATIVES | GLAXO GROUP LIMITED (GB) | 2007-03-01 | — | — | WO | disclosed |
| EP-1745040-A1 | AZABICYCLO(3.1.0) HEXANE DERIVATIVES USEFUL AS MODULATORS OF DOPAMINE D3 RECEPTORS | GLAXO GROUP LIMITED (GB) | 2007-01-24 | — | — | EP | disclosed |
| WO-2006136223-A1 | AZABICYCLO (3.1.0) HEXANE DERIVATIVES USEFUL AS MODULATORS OF DOPAMINE D3 RECEPTORS | GLAXO GROUP LIMITED (GB) | 2006-12-28 | — | — | WO | disclosed |
| WO-2006108700-A1 | 3-TRIAZOLYLTHIOALKYL-3-AZABICYCLO (3 - 1 - O) HEXANES AND THEIR USE AS DOPAMINE D3 RECEPTOR LIGANDS | GLAXO GROUP LIMITED (GB) | 2006-10-19 | — | — | WO | disclosed |
| WO-2005080382-A1 | AZABICYCLO (3.1.0) HEXANE DERIVATIVES USEFUL AS MODULATORS OF DOPAMINE D3 RECEPTORS | GLAXO GROUP LIMITED (GB) | 2005-09-01 | — | — | WO | disclosed |