⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9872249 | 0.79 | — | — | |
| SCHEMBL450353 | 0.72 | ALDH1A1 (0.42) | — | |
| SCHEMBL3147551 | 0.71 | — | — | |
| SCHEMBL289744 | 0.71 | CYP2A6 (0.46) | — | |
| SCHEMBL354103 | 0.70 | SMPD3 (0.40) | — | |
| SCHEMBL2066303 | 0.70 | SMPD3 (0.36) | — | |
| SCHEMBL13740175 | 0.69 | TDO2 (0.38) | — | |
| SCHEMBL2579053 | 0.68 | CNR2 (0.39) | — | |
| SCHEMBL8066952 | 0.67 | CYP3A4 (0.43) | — | |
| SCHEMBL2066450 | 0.66 | KDM4E (0.53) | — |
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-2970207-B1 | SUBSTITUTED PIPERIDINE COMPOUNDS AND THEIR USE AS OREXIN RECEPTOR MODULATORS | JANSSEN PHARMACEUTICA NV (BE) | 2018-05-16 | — | — | EP | claimed |
| CN-102781942-A | Disubstituted octahy-dropyrrolo [3,4-c]pyrroles as orexin receptor modulators | JANSSEN PHARMACEUTICA NV | 2012-11-14 | — | — | CN | claimed |
| CN-110669052-B | Substituted 2-azabicyclic compounds and their use as orexin receptor modulators | 詹森药业有限公司 | 2022-10-11 | — | — | CN | disclosed |
| CN-110669052-A | Substituted 2-azabicyclic compounds and their use as orexin receptor modulators | 詹森药业有限公司 | 2020-01-10 | — | — | CN | disclosed |
| CN-102781942-A | Disubstituted octahy-dropyrrolo [3,4-c]pyrroles as orexin receptor modulators | JANSSEN PHARMACEUTICA NV | 2012-11-14 | — | — | CN | disclosed |