⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3170282 | 0.82 | FFAR3 (0.30) | — | |
| SCHEMBL3160271 | 0.82 | FFAR3 (0.30) | — | |
| SCHEMBL4477732 | 0.81 | NPSR1 (0.32) | — | |
| SCHEMBL3172668 | 0.73 | FFAR3 (0.33) | — | |
| SCHEMBL14521747 | 0.71 | HSD11B1 (0.36) | — | |
| SCHEMBL13406134 | 0.70 | DDB1 (0.49) | — | |
| SCHEMBL13818245 | 0.69 | GRM2 (0.32) | — | |
| SCHEMBL3191405 | 0.69 | — | — | |
| SCHEMBL12679295 | 0.66 | — | — | |
| SCHEMBL2764583 | 0.65 | ALDH1A1 (0.42) | — |
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 15 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7491737-B2 | Heterarylpiperidine modulators of chemokine receptor activity | MERCK & CO., INC. (US) | 2009-02-17 | — | — | US | disclosed |
| US-7491737-B2 | Heterarylpiperidine modulators of chemokine receptor activity | MERCK & CO., INC. (US) | 2009-02-17 | — | — | US | disclosed |
| US-7491737-B2 | Heterarylpiperidine modulators of chemokine receptor activity | MERCK & CO., INC. (US) | 2009-02-17 | — | — | US | disclosed |
| US-7390803-B2 | Tetrahydropyranyl cyclopentyl benzylamide modulators of chemokine receptor activity | MERCK & CO., INC. (US) | 2008-06-24 | — | — | US | disclosed |
| US-7390803-B2 | Tetrahydropyranyl cyclopentyl benzylamide modulators of chemokine receptor activity | MERCK & CO., INC. (US) | 2008-06-24 | — | — | US | disclosed |
| EP-1558599-A4 | HETEROARYLPIPERIDINE MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY | MERCK & CO INC (US) | 2007-06-27 | — | — | EP | disclosed |
| EP-1318811-B1 | CYCLOPENTYL MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY | MERCK & CO INC (US) | 2006-08-30 | — | — | EP | disclosed |
| US-20050250781-A1 | Heterarylpiperidine modulators of chemokine receptor activity | MERCK SHARP & DOHME CORP. | 2005-11-10 | — | — | US | disclosed |
| EP-1558599-A2 | HETEROARYLPIPERIDINE MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY | Merck & Co., Inc. (US) | 2005-08-03 | — | — | EP | disclosed |
| EP-1318811-A4 | CYCLOPENTYL MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY | MERCK & CO INC (US) | 2004-07-14 | — | — | EP | disclosed |
| WO-2004041777-A2 | HETEROARYLPIPERIDINE MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY | MERCK & CO., INC. (US) | 2004-05-21 | — | — | WO | disclosed |
| EP-1318811-A1 | CYCLOPENTYL MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY | Merck & Co., Inc. (US) | 2003-06-18 | — | — | EP | disclosed |
| US-6545023-B2 | For treating rheumatoid arthritis; for examle, 1-(4-(4-fluorophenyl)piperidin-1-yl),3-(2-methoxy-4 -chlorobenzylaminocarbonyl),3-isopropyl-cyclopentane | MERCK & CO., INC. | 2003-04-08 | — | — | US | disclosed |
| US-20020049222-A1 | Cyclopentyl modulators of chemokine receptor activity | MERCK SHARP & DOHME CORP. | 2002-04-25 | — | — | US | disclosed |
| WO-2002013824-A1 | CYCLOPENTYL MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY | MERCK & CO., INC. (US) | 2002-02-21 | — | — | WO | disclosed |