⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL413914 | 0.77 | CYP2D6 (0.38) | — | |
| SCHEMBL222814 | 0.69 | MGAM (0.42) | — | |
| SCHEMBL17707474 | 0.69 | — | — | |
| SCHEMBL414356 | 0.68 | SLC6A4 (0.42) | — | |
| SCHEMBL414141 | 0.67 | PSMD14 (0.43) | — | |
| SCHEMBL415562 | 0.66 | CYP2D6 (0.41) | — | |
| SCHEMBL31018221 | 0.66 | KDM2B (0.34) | — | |
| SCHEMBL413894 | 0.64 | SLC6A4 (0.47) | — | |
| SCHEMBL2780322 | 0.64 | ADORA3 (0.40) | — | |
| SCHEMBL2741831 | 0.63 | MLYCD (0.33) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20120065225-A1 | HETEROARYL PYRROLIDINYL AND PIPERIDINYL KETONE DERIVATIVES AND USES THEREOF | IYER PRAVIN (US) | 2012-03-15 | — | — | US | disclosed |
| US-8084623-B2 | heterocyclic ketones such as (3-Benzyl-pyrrolidin-3-yl)-(1H-indol-5-yl)-methanone, used as antidepressants or anxiolytic agents | ROCHE PALO ALTO LLC (US) | 2011-12-27 | — | — | US | disclosed |
| US-20090318493-A1 | Aryl pyrrolidinyl and piperidinyl ketone derivatives and uses thereof | ROCHE PALO ALTO LLC | 2009-12-24 | — | — | US | disclosed |
| US-20080146607-A1 | Heteroaryl pyrrolidinyl and piperidinyl ketone derivatives and uses thereof | ROCHE PALO ALTO LLC | 2008-06-19 | — | — | US | disclosed |