⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8895748 | 0.86 | — | — | |
| SCHEMBL826597 | 0.78 | HDAC3 (0.33) | — | |
| SCHEMBL8894836 | 0.77 | — | — | |
| SCHEMBL28235044 | 0.73 | DPP4 (0.31) | — | |
| SCHEMBL28236259 | 0.73 | DPP4 (0.31) | — | |
| SCHEMBL18226969 | 0.72 | DPP4 (0.39) | — | |
| SCHEMBL30149683 | 0.72 | DPP4 (0.39) | — | |
| SCHEMBL4826854 | 0.72 | DPP4 (0.39) | — | |
| SCHEMBL3875287 | 0.71 | GPR84 (0.38) | — | |
| SCHEMBL30030017 | 0.71 | DPP4 (0.33) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2155672-B1 | PROLINAMIDE DERIVATIVES AS NK3 ANTAGONISTS | HOFFMANN LA ROCHE (CH) | 2010-10-27 | — | — | EP | disclosed |
| EP-2155672-A1 | PROLINAMIDE DERIVATIVES AS NK3 ANTAGONISTS | F. Hoffmann-Roche AG (CH) | 2010-02-24 | — | — | EP | disclosed |
| US-7528136-B2 | for the treatment of depression, pain, psychosis, Parkinson's disease, schizophrenia, anxiety and attention deficit hyperactivity disorder (ADHD); 2-{4-[(2S,4S)-1-benzyl-4-(2,4-difluoro-benzylamino)-pyrrolidine-2-carbonyl]-piperazin-1-yl}-benzonitrile | HOFFMANN-LA ROCHE INC. (US) | 2009-05-05 | — | — | US | disclosed |
| US-20080306086-A1 | PROLINAMIDE DERIVATIVES AS NK3 ANTAGONISTS | HOFFMANN-LA ROCHE, INC. | 2008-12-11 | — | — | US | disclosed |
| WO-2008148689-A1 | PROLINAMIDE DERIVATIVES AS NK3 ANTAGONISTS | F. HOFFMANN-LA ROCHE AG (CH) | 2008-12-11 | — | — | WO | disclosed |