⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13178388 | 0.79 | — | — | |
| SCHEMBL14384741 | 0.79 | — | — | |
| SCHEMBL3437031 | 0.75 | — | — | |
| Hydrochloric Acid SCHEMBL21330762 | 0.73 | TDP1 (0.33) | — | |
| SCHEMBL14417472 | 0.72 | NCF1 (0.42) | — | |
| SCHEMBL20096270 | 0.71 | — | — | |
| SCHEMBL18136205 | 0.69 | — | — | |
| SCHEMBL722434 | 0.67 | — | — | |
| SCHEMBL17571999 | 0.67 | JAK1 (0.35) | — | |
| SCHEMBL16542525 | 0.67 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3328847-B1 | N-(2-(3-(BENZYL(METHYL)AMINO)PYRROLIDIN-1-YL)ETHYL)-N-PHENYL)PROPIONAMIDE DERIVATIVES AND RELATED COMPOUNDS AS DUAL SIGMA 1 AND MU OPIOID RECEPTOR LIGANDS FOR THE TREATMENT OF PAIN | ESTEVE PHARMACEUTICALS SA (ES) | 2019-09-11 | — | — | EP | disclosed |