⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22806989 | 0.90 | — | — | |
| SCHEMBL21807785 | 0.90 | CHRM1 (0.38) | — | |
| SCHEMBL8060558 | 0.88 | CHRM1 (0.37) | — | |
| SCHEMBL3082762 | 0.80 | NPC1 (0.42) | — | |
| SCHEMBL4059081 | 0.72 | CYP1A2 (0.57) | — | |
| Methoxymethane SCHEMBL27908243 | 0.70 | RAB9A (0.50) | — | |
| SCHEMBL27515250 | 0.69 | CHRM1 (0.34) | — | |
| SCHEMBL28934089 | 0.68 | — | — | |
| SCHEMBL4059082 | 0.68 | MDM2 (0.41) | — | |
| SCHEMBL27631688 | 0.68 | NPC1 (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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7550486-B2 | N-ureidoalkyl-piperidines as modulators of chemokine receptor activity | BRISTOL-MYERS SQUIBB COMPANY (US) | 2009-06-23 | — | — | US | disclosed |
| US-20080132523-A1 | N-UREIDOALKYL-PIPERIDINES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY | BRISTOL-MYERS SQUIBB COMPANY | 2008-06-05 | — | — | US | disclosed |
| US-7351720-B2 | N-ureidoalkyl-piperidines as modulators of chemokine receptor activity | BRISTOL-MYERS SQUIBB COMPANY (US) | 2008-04-01 | — | — | US | disclosed |