⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL533169 | 0.80 | — | — | |
| SCHEMBL1007036 | 0.80 | — | — | |
| SCHEMBL3430657 | 0.76 | — | — | |
| SCHEMBL8368010 | 0.76 | ALDH1A3 (0.30) | — | |
| SCHEMBL1981551 | 0.75 | TSHR (0.41) | — | |
| SCHEMBL9529918 | 0.74 | — | — | |
| SCHEMBL28452096 | 0.73 | — | — | |
| SCHEMBL9031414 | 0.73 | — | — | |
| SCHEMBL2105143 | 0.71 | MEN1 (0.33) | — | |
| SCHEMBL145799 | 0.70 | DRD1 (0.42) | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20110086880-A1 | NOVEL ALKYL SUBSTITUTED PIPERIDINE DERIVATIVES AND THEIR USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS | PETERS DAN | 2011-04-14 | — | — | US | disclosed |
| US-7915419-B2 | Alkyl substituted piperidine derivatives and their use as monoamine neurotransmitter re-uptake inhibitors | NEUROSEARCH A/S (DK) | 2011-03-29 | — | — | US | disclosed |
| US-20090215820-A1 | NOVEL ALKYL SUBSTITUTED PIPERIDINE DERIVATIVES AND THEIR USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS | ANIONA APS (DK) | 2009-08-27 | — | — | US | disclosed |
| US-7547788-B2 | Alkyl substituted piperidine derivatives and their use as monoamine neurotransmitter re-uptake inhibitors | NEUROSEARCH A/S (DK) | 2009-06-16 | — | — | US | disclosed |
| US-20070167487-A1 | Novel alkyl substituted piperidine derivatives and their use as monoamine neurotransmitter re-uptake inhibitors | ANIONA APS (DK) | 2007-07-19 | — | — | US | disclosed |
| EP-1761493-A2 | ALKYL SUBSTITUTED PIPERIDINE DERIVATIVES AND THEIR USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS | NEUROSEARCH A/S (DK) | 2007-03-14 | — | — | EP | disclosed |
| WO-2005123679-A2 | ALKYL SUBSTITUTED PIPERIDINE DERIVATIVES AND THEIR USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS | NEUROSEARCH A/S (DK) | 2005-12-29 | — | — | WO | disclosed |