⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1751077 | 0.80 | TAAR1 (0.45) | — | |
| SCHEMBL27735748 | 0.77 | CSNK2A1 (0.40) | — | |
| SCHEMBL3085740 | 0.76 | HTR1A (0.43) | — | |
| SCHEMBL27756370 | 0.76 | KDM4E (0.44) | — | |
| SCHEMBL3089004 | 0.76 | TSHR (0.41) | — | |
| SCHEMBL1431818 | 0.74 | PNMT (0.47) | — | |
| SCHEMBL1751531 | 0.73 | TSHR (0.43) | — | |
| SCHEMBL27756383 | 0.73 | KCNH2 (0.39) | — | |
| SCHEMBL1752271 | 0.71 | TSHR (0.41) | — | |
| SCHEMBL20187505 | 0.71 | GPR84 (0.40) | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7968720-B2 | Secondary amines as renin inhibitors | ACTELION PHARMACEUTICALS LTD. (CH) | 2011-06-28 | — | — | US | disclosed |
| US-20100324052-A1 | NOVEL PIPERIDINE CARBOXYLIC ACID AMINE DERIVATIVES | BEZENCON OLIVIER | 2010-12-23 | — | — | US | disclosed |
| US-7799805-B2 | Piperidine carboxylic acid amide derivatives | ACTELION PHARMACEUTICALS LTD. (CH) | 2010-09-21 | — | — | US | disclosed |
| US-20090176823-A1 | Secondary Amines as Renin Inhibitors | ACTELION PHARMACEUTICALS LTD. (CH) | 2009-07-09 | — | — | US | disclosed |
| EP-1981847-A1 | SECONDARY AMINES AS RENIN INHIBITORS | Actelion Pharmaceuticals Ltd. (CH) | 2008-10-22 | — | — | EP | disclosed |
| US-20080214598-A1 | Novel Piperidine Carboxylic Acid Amide Derivatives | ACTELION PHARMACEUTICALS LTD (CH) | 2008-09-04 | — | — | US | disclosed |
| WO-2007088514-A1 | SECONDARY AMINES AS RENIN INHIBITORS | ACTELION PHARMACEUTICALS LTD (CH) | 2007-08-09 | — | — | WO | disclosed |