Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CNR1 | P21554 | 18/20 | 0.54 |
| ▸ | CNR2 | P34972 | 11/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.38 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
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 | |
|---|---|---|---|---|
| SCHEMBL4689149 | 0.94 | CNR1 (0.54) | CNR1CNR2CYP2D6CYP2C9KCNH2 | |
| SCHEMBL4688723 | 0.92 | CNR1 (0.62) | CNR1CNR2ALDH1A1 | |
| SCHEMBL2653204 | 0.91 | CNR1 (0.66) | CNR1CNR2ALDH1A1 | |
| SCHEMBL4456833 | 0.89 | CNR1 (0.75) | CNR1CNR2 | |
| SCHEMBL4688678 | 0.89 | CNR1 (0.57) | CNR1CNR2ALDH1A1CYP2D6CYP2C9 | |
| SCHEMBL4694464 | 0.86 | CNR1 (0.54) | CNR1CNR2CYP2D6CYP2C9KCNH2 | |
| SCHEMBL4688580 | 0.86 | CNR1 (0.54) | CNR1CNR2CYP2D6CYP2C9KCNH2 | |
| SCHEMBL4689053 | 0.86 | CNR1 (0.56) | CNR1CNR2ALDH1A1CYP2C9 | |
| SCHEMBL4691717 | 0.84 | CNR1 (0.56) | CNR1CNR2CYP2D6CYP2C9KCNH2 | |
| SCHEMBL4688627 | 0.84 | CNR1 (0.55) | CNR1CNR2ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1496838-A4 | SUBSTITUTED AMIDES | MERCK & CO INC (US) | 2008-07-02 | — | — | EP | claimed |
| EP-1496838-A2 | SUBSTITUTED AMIDES | Merck & Co., Inc. (US) | 2005-01-19 | — | — | EP | claimed |
| WO-2004048317-A1 | SUBSTITUTED AMIDES ACTIVE AT THE CANNABINOID-1 RECEPTOR | MERCK & CO., INC. (US) | 2004-06-10 | — | — | WO | claimed |
| WO-2003077847-A2 | SUBSTITUTED AMIDES | MERCK & CO., INC. (US) | 2003-09-25 | — | — | WO | claimed |
| EP-1879582-A4 | COMBINATION OF DIPEPTIDYL PEPTIDASE-IV INHIBITOR AND A CANNABINOID CB1 RECEPTOR ANTAGONIST FOR THE TREATMENT OF DIABETES AND OBESITY | MERCK & CO INC (US) | 2009-05-13 | — | — | EP | disclosed |
| EP-2019585-A2 | GLUCAGON RECEPTOR ANTAGONIST COMPOUNDS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF USE | Merck & Co., Inc. (US) | 2009-02-04 | — | — | EP | disclosed |
| EP-2001472-A2 | GLUCAGON RECEPTOR ANTAGONIST COMPOUNDS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF USE | Merck and Co., Inc. (US) | 2008-12-17 | — | — | EP | disclosed |
| EP-1940799-A1 | PYRAZOLE DERIVATIVES, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF USE | Merck & Co., Inc. (US) | 2008-07-09 | — | — | EP | disclosed |
| EP-1496838-A4 | SUBSTITUTED AMIDES | MERCK & CO INC (US) | 2008-07-02 | — | — | EP | disclosed |
| EP-1879582-A2 | COMBINATION OF DIPEPTIDYL PEPTIDASE-IV INHIBITOR AND A CANNABINOID CB1 RECEPTOR ANTAGONIST FOR THE TREATMENT OF DIABETES AND OBESITY | Merck & Co., Inc. (US) | 2008-01-23 | — | — | EP | disclosed |
| WO-2007136577-A2 | GLUCAGON RECEPTOR ANTAGONIST COMPOUNDS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF USE | MERCK & CO., INC. (US) | 2007-11-29 | — | — | WO | disclosed |
| WO-2007111864-A2 | GLUCAGON RECEPTOR ANTAGONIST COMPOUNDS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF USE | MERCK & CO., INC. (US) | 2007-10-04 | — | — | WO | disclosed |
| WO-2007047676-A1 | PYRAZOLE DERIVATIVES, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF USE | MERCK & CO., INC. (US) | 2007-04-26 | — | — | WO | disclosed |
| EP-1756064-A2 | PYRAZOLE DERIVATIVES, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF USE | Merck & Co., Inc. (US) | 2007-02-28 | — | — | EP | disclosed |
| WO-2006119260-A2 | COMBINATION OF DIPEPTIDYL PEPTIDASE-IV INHIBITOR AND A CANNABINOID CB1 RECEPTOR ANTAGONIST FOR THE TREATMENT OF DIABETES AND OBESITY | MERCK & CO., INC. (US) | 2006-11-09 | — | — | WO | disclosed |
| WO-2005121097-A2 | PYRAZOLE DERIVATIVES, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF USE | MERCK & CO., INC. (US) | 2005-12-22 | — | — | WO | disclosed |
| EP-1496838-A2 | SUBSTITUTED AMIDES | Merck & Co., Inc. (US) | 2005-01-19 | — | — | EP | disclosed |
| WO-2004048317-A1 | SUBSTITUTED AMIDES ACTIVE AT THE CANNABINOID-1 RECEPTOR | MERCK & CO., INC. (US) | 2004-06-10 | — | — | WO | disclosed |
| WO-2003077847-A2 | SUBSTITUTED AMIDES | MERCK & CO., INC. (US) | 2003-09-25 | — | — | WO | disclosed |