⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL828879 | 0.71 | CCNT1 (0.32) | — | |
| SCHEMBL13920714 | 0.70 | PDE3B (0.35) | — | |
| SCHEMBL18951170 | 0.63 | PTGS2 (0.42) | — | |
| SCHEMBL16499681 | 0.63 | MAOA (0.46) | — | |
| SCHEMBL2536132 | 0.63 | WDR5 (0.40) | — | |
| SCHEMBL540266 | 0.62 | TSHR (0.39) | — | |
| SCHEMBL29439671 | 0.62 | TSHR (0.39) | — | |
| SCHEMBL829910 | 0.60 | TAS1R3 (0.35) | — | |
| SCHEMBL828703 | 0.60 | CNR2 (0.34) | — | |
| SCHEMBL828523 | 0.60 | P2RX7 (0.39) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2271640-B1 | Piperidine derivatives as CGRP receptor antagonists | BRISTOL MYERS SQUIBB CO (US) | 2012-09-05 | — | — | EP | disclosed |
| US-8143403-B2 | CGRP receptor antagonists | BRISTOL-MYERS SQUIBB COMPANY (US) | 2012-03-27 | — | — | US | disclosed |
| US-20120010402-A1 | CGRP Receptor Antagonists | BRISTOL-MYERS SQUIBB COMPANY | 2012-01-12 | — | — | US | disclosed |
| US-8044043-B2 | CGRP receptor antagonists | BRISTOL-MYERS SQUIBB COMPANY (US) | 2011-10-25 | — | — | US | disclosed |
| EP-2271640-A2 | PIPERIDINE DERIVATIVES AS CGRP RECEPTOR ANTAGONISTS | Bristol-Myers Squibb Company (US) | 2011-01-12 | — | — | EP | disclosed |
| WO-2009126530-A2 | CGRP RECEPTOR ANTAGONISTS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2009-10-15 | — | — | WO | disclosed |
| US-20090258866-A1 | CGRP Receptor Antagonists | BRISTOL-MYERS SQUIBB COMPANY | 2009-10-15 | — | — | US | disclosed |