⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21610642 | 0.81 | CHRM3 (0.36) | — | |
| SCHEMBL30354749 | 0.66 | — | — | |
| SCHEMBL11596428 | 0.66 | — | — | |
| SCHEMBL3595205 | 0.65 | — | — | |
| SCHEMBL2329266 | 0.65 | — | — | |
| SCHEMBL2010358 | 0.64 | CHRM3 (0.34) | — | |
| SCHEMBL6729729 | 0.64 | CHRM3 (0.38) | — | |
| Hydrochloric Acid SCHEMBL27629194 | 0.64 | CHRM3 (0.50) | — | |
| SCHEMBL8590440 | 0.63 | CHRM3 (0.41) | — | |
| SCHEMBL6643510 | 0.62 | NPSR1 (0.39) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20120015957-A1 | PIPERAZINYL DERIVATIVES USEFUL AS MODULATORS OF THE NEUROPEPTIDE Y2 RECEPTOR | JANSSEN PHARMACEUTICA NV (BE) | 2012-01-19 | — | — | US | disclosed |
| WO-2009079593-A1 | PIPERAZINYL DERIVATIVES USEFUL AS MODULATORS OF THE NEUROPEPTIDE Y2 RECEPTOR | JANSSEN PHARMACEUTICA N.V. (BE) | 2009-06-25 | — | — | WO | disclosed |