⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5375385 | 0.81 | — | — | |
| SCHEMBL7867741 | 0.79 | — | — | |
| SCHEMBL5523423 | 0.76 | SLC6A3 (0.33) | — | |
| SCHEMBL2592242 | 0.74 | LMNA (0.32) | — | |
| SCHEMBL7719269 | 0.71 | — | — | |
| SCHEMBL5360670 | 0.68 | ALDH1A1 (0.32) | — | |
| SCHEMBL5368454 | 0.68 | NR1H2 (0.30) | — | |
| SCHEMBL8946202 | 0.65 | HRH3 (0.35) | — | |
| SCHEMBL15018312 | 0.64 | LMNA (0.32) | — | |
| SCHEMBL5369056 | 0.64 | SCN4A (0.34) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7166598-B2 | e.g 1-[3,5-bis(trifluoromethyl)benzoyl]-2-[3-[(2-methoxyethoxy)-methoxy]-4-methylbenzyl]-4-[2-[(3R)-3-methoxymethyl-morpholino]ethyl]piperazine; treating or preventing Tachykinin-mediated diseases such as asthma, emesis, an anxiety disorder, pollakiuria, urinary incontinence and irritable bowel syndrome | ASTELLAS PHARMA INC. (JP) | 2007-01-23 | — | — | US | disclosed |
| EP-1140924-B1 | PIPERAZINE DERIVATIVES | ASTELLAS PHARMA INC (JP) | 2006-03-22 | — | — | EP | disclosed |
| US-20060014948-A1 | e.g 1-[3,5-bis(trifluoromethyl)benzoyl]-2-[3-[(2-methoxyethoxy)-methoxy]-4-methylbenzyl]-4-[2-[(3R)-3-methoxymethyl-morpholino]ethyl]piperazine; treating or preventing Tachykinin-mediated diseases in humans or animals | FUJISAWA PHARMACEUTICAL CO. LTD. (JP) | 2006-01-19 | — | — | US | disclosed |