⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19743847 | 0.60 | — | — | |
| SCHEMBL4477639 | 0.60 | — | — | |
| SCHEMBL2044223 | 0.60 | — | — | |
| SCHEMBL12937701 | 0.60 | — | — | |
| SCHEMBL7139212 | 0.60 | — | — | |
| SCHEMBL14413181 | 0.60 | — | — | |
| SCHEMBL1246040 | 0.56 | — | — | |
| SCHEMBL3767412 | 0.55 | — | — | |
| SCHEMBL9715235 | 0.55 | — | — | |
| SCHEMBL14533802 | 0.55 | — | — |
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-1578425-B1 | SUBSTITUTED 1-PIPERIDIN-3-YL-4-PIPERIDIN-4-YL-PIPERAZINE DERIVATIVES AND THEIR USE AS NEUROKININ ANTAGONISTS | JANSSEN PHARMACEUTICA NV (BE) | 2007-11-21 | — | — | EP | claimed |
| US-20060252747-A1 | Substitituted 1-piperidin-3-yl-piperidin 4-yl-piperazine derivatives and their use as neurokinin auantagonists | JANSSEN PHARMACEUTICA N.V. (BE) | 2006-11-09 | — | — | US | claimed |
| US-7572786-B2 | Irritable bowel syndrome; tachykinin mediated condition such as schizophrenia, emesis, anxiety, depression, irritable bowel syndrome, circadian rhythm disturbances, pain, neurogenic inflammation, asthma, micturition disorder or nociception | JANSSEN PHARMACEUTICA, N.V. (BE) | 2009-08-11 | — | — | US | disclosed |
| EP-1578425-B1 | SUBSTITUTED 1-PIPERIDIN-3-YL-4-PIPERIDIN-4-YL-PIPERAZINE DERIVATIVES AND THEIR USE AS NEUROKININ ANTAGONISTS | JANSSEN PHARMACEUTICA NV (BE) | 2007-11-21 | — | — | EP | disclosed |
| US-20060252747-A1 | Substitituted 1-piperidin-3-yl-piperidin 4-yl-piperazine derivatives and their use as neurokinin auantagonists | JANSSEN PHARMACEUTICA N.V. (BE) | 2006-11-09 | — | — | US | disclosed |