⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10073172 | 0.83 | — | — | |
| SCHEMBL24595130 | 0.76 | MAPT (0.33) | — | |
| SCHEMBL24850162 | 0.74 | TRPA1 (0.31) | — | |
| SCHEMBL26256948 | 0.73 | — | — | |
| SCHEMBL84866 | 0.73 | MAPT (0.33) | — | |
| SCHEMBL25927982 | 0.73 | — | — | |
| SCHEMBL19865017 | 0.73 | CYP11B2 (0.36) | — | |
| SCHEMBL23278084 | 0.73 | UHRF1 (0.32) | — | |
| SCHEMBL21736808 | 0.71 | KDM5A (0.33) | — | |
| SCHEMBL20180203 | 0.70 | — | — |
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-8114879-B2 | 4-piperazine-4-piperidine-1-ketone derivatives; graft v. host disease, arthritis, rheumatoid arthritis, inflammatory bowel disease, atopic dermatitis, psoriasis, asthma, allergies or multiple sclerosis; human immunodeficiency viricides | SCHERING CORPORATION (US) | 2012-02-14 | — | — | US | disclosed |
| US-20110059154-A1 | CCR5 ANTAGONISTS AS PROPHYLACTICS FOR PREVENTING HIV INFECTION AND METHODS OF INHIBITING TRANSMISSION OF SAME | MERCK SHARP & DOHME CORP. | 2011-03-10 | — | — | US | disclosed |
| US-20080188485-A1 | PIPERIDINE DERIVATIVES USEFUL AS CCR5 ANTAGONISTS | SCHERING CORPORATION | 2008-08-07 | — | — | US | disclosed |
| US-7384944-B2 | Piperazine derivatives useful as CCR5 antagonists | SCHERING CORPORATION (US) | 2008-06-10 | — | — | US | disclosed |