⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL529942 | 0.77 | — | — | |
| SCHEMBL5934985 | 0.73 | — | — | |
| SCHEMBL6176753 | 0.71 | — | — | |
| SCHEMBL270424 | 0.69 | — | — | |
| SCHEMBL3942947 | 0.69 | — | — | |
| SCHEMBL1031922 | 0.69 | — | — | |
| Hydroxyl Radical SCHEMBL9542405 | 0.67 | — | — | |
| SCHEMBL7668341 | 0.66 | — | — | |
| SCHEMBL24178 | 0.65 | — | — | |
| SCHEMBL2398503 | 0.65 | — | — |
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 19 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9353106-B2 | Quinolinone-carboxamide compounds as 5-HT4 receptor agonists | THERAVANCE BIOPHARMA R&D IP, LLC (US) | 2016-05-31 | — | — | US | disclosed |
| US-9206172-B2 | 8-azabicyclo[3.2.1]octane compounds as mu opioid receptor antagonists | THERAVANCE BIOPHARMA R&D IP, LLC (US) | 2015-12-08 | — | — | US | disclosed |
| US-20150291579-A1 | 8-AZABICYCLO[3.2.1]OCTANE COMPOUNDS AS MU OPIOID RECEPTOR ANTAGONISTS | THERAVANCE BIOPHARMA R&D IP, LLC (US) | 2015-10-15 | — | — | US | disclosed |
| US-20150291580-A1 | QUINOLINONE-CARBOXAMIDE COMPOUNDS AS 5-HT4 RECEPTOR AGONISTS | THERAVANCE BIOPHARMA R&D IP, LLC (US) | 2015-10-15 | — | — | US | disclosed |
| US-8962653-B2 | Quinolinone-carboxamide compounds as 5-HT4 receptor agonists | THERAVANCE BIOPHARMA R&D IP, LLC (US) | 2015-02-24 | — | — | US | disclosed |
| US-20140163063-A1 | QUINOLINONE-CARBOXAMIDE COMPOUNDS AS 5-HT4 RECEPTOR AGONISTS | THERAVANCE, INC. (US) | 2014-06-12 | — | — | US | disclosed |
| US-8664242-B2 | 8-azabicyclo[3.2.1]octane compounds as mu opioid receptor antagonists | THERAVANCE, INC. (US) | 2014-03-04 | — | — | US | disclosed |
| US-8575192-B2 | Quinolinone-carboxamide compounds as 5-HT4 receptor agonists | THERAVANCE, INC. (US) | 2013-11-05 | — | — | US | disclosed |
| US-20130158060-A1 | 8-AZABICYCLO[3.2.1]OCTANE COMPOUNDS AS MU OPIOID RECEPTOR ANTAGONISTS | THERAVANCE, INC. (US) | 2013-06-20 | — | — | US | disclosed |
| US-20120264779-A1 | QUINOLINONE-CARBOXAMIDE COMPOUNDS AS 5-HT4 RECEPTOR AGONISTS | THERAVANCE, INC. (US) | 2012-10-18 | — | — | US | disclosed |
| US-8163920-B2 | Quinolinone-carboxamide compounds as 5-HT4 receptor agonists | THERAVANCE, INC. (US) | 2012-04-24 | — | — | US | disclosed |
| US-20120071654-A1 | ARYL ANILINE DERIVATIVES AS BETA2 ADRENERGIC RECEPTOR AGONISTS | THERAVANCE, INC. (US) | 2012-03-22 | — | — | US | disclosed |
| US-7994165-B2 | Aryl aniline derivatives as β2 adrenergic receptor agonists | THERAVANCE, INC. (US) | 2011-08-09 | — | — | US | disclosed |
| US-20110124677-A1 | AMIDOALKYL-8-AZABICYCLO[3.2.1]OCTANE COMPOUNDS AS MU OPIOID RECEPTOR ANTAGONISTS | THERAVANCE, INC. (US) | 2011-05-26 | — | — | US | disclosed |
| EP-2001876-B1 | 8-AZABICYCLOÝ3.2.1¨OCTANE COMPOUNDS AS MU OPIOID RECEPTOR ANTAGONISTS | THERAVANCE INC (US) | 2011-05-18 | — | — | EP | disclosed |
| EP-1706371-B1 | ARYL ANILINE DERIVATIVES AS BETA2 ADRENERGIC RECEPTOR AGONISTS | THERAVANCE INC (US) | 2011-04-06 | — | — | EP | disclosed |
| US-20100311979-A1 | QUINOLINONE-CARBOXAMIDE COMPOUNDS AS 5-HT4 RECEPTOR AGONISTS | THERAVANCE, INC. (US) | 2010-12-09 | — | — | US | disclosed |
| US-7622508-B2 | 3-Endo-(8-{2-[cyclohexylmethyl-(2-hydroxyacetyl)-amino]-ethyl}-8-azabicyclo[3.2.1]oct-3-yl)-benzamide; for treating condition associated with mu opioid receptor activity, e.g. a disorder of reduced motility of gastrointestinal tract such as opioid-induced bowel dysfunction and post-operative ileus | THERAVANCE, INC. (US) | 2009-11-24 | — | — | US | disclosed |
| US-20070219278-A1 | 3-Endo-(8-{2-[cyclohexylmethyl-(2-hydroxyacetyl)-amino]-ethyl}-8-azabicyclo[3.2.1]oct-3-yl)-benzamide; for treating condition associated with mu opioid receptor activity, e.g. a disorder of reduced motility of gastrointestinal tract such as opioid-induced bowel dysfunction and post-operative ileus | THERAVANCE BIOPHARMA R&D IP, LLC | 2007-09-20 | — | — | US | disclosed |