⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12809269 | 0.70 | GRK6 (0.31) | — | |
| SCHEMBL451291 | 0.67 | GRK6 (0.32) | — | |
| SCHEMBL9958738 | 0.64 | GRK6 (0.34) | — | |
| SCHEMBL330550 | 0.64 | GRK6 (0.34) | — | |
| SCHEMBL9958734 | 0.64 | GRK6 (0.34) | — | |
| SCHEMBL2903859 | 0.64 | GRK6 (0.34) | — | |
| Hydrochloric Acid SCHEMBL7477355 | 0.62 | GRK6 (0.33) | — | |
| SCHEMBL5793142 | 0.62 | PLAU (0.31) | — | |
| Hydrochloric Acid SCHEMBL5739950 | 0.62 | GRK6 (0.33) | — | |
| SCHEMBL29848588 | 0.62 | MAPT (0.38) | — |
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-7547693-B2 | Such as N-methyl-N-(1-methylpiperidin-4-yl)-4-[4-(piperidin-1-yl)piperidin-1-yl]benzamide; histamine h3-antagonists | BANYU PHARMACEUTICAL CO. LTD. (JP) | 2009-06-16 | — | — | US | disclosed |
| US-20070105901-A1 | Novel piperidine derivative | MSD K.K. (JP) | 2007-05-10 | — | — | US | disclosed |