⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6849715 | 0.75 | CHRM1 (0.48) | — | |
| SCHEMBL6845650 | 0.74 | CHRNA7 (0.42) | — | |
| SCHEMBL6417110 | 0.74 | CHRNA7 (0.44) | — | |
| SCHEMBL6851404 | 0.71 | NAMPT (0.33) | — | |
| SCHEMBL25514842 | 0.69 | MLYCD (0.42) | — | |
| SCHEMBL6850187 | 0.69 | CHRNA7 (0.39) | — | |
| SCHEMBL24815213 | 0.66 | ALOX15 (0.41) | — | |
| SCHEMBL38661799 | 0.63 | ALOX15 (0.41) | — | |
| SCHEMBL30188469 | 0.63 | CYP2D6 (0.38) | — | |
| SCHEMBL30188459 | 0.63 | CYP2D6 (0.38) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1476449-A1 | FUSED BICYCLIC-N-BRIDGED-HETEROAROMATIC CARBOXAMIDES FOR THE TREATMENT OF DISEASE | PHARMACIA & UPJOHN COMPANY (US) | 2004-11-17 | — | — | EP | disclosed |
| WO-2003070732-A1 | FUSED BICYCLIC-N-BRIDGED-HETEROAROMATIC CARBOXAMIDES FOR THE TREATMENT OF DISEASE | PHARMACIA & UPJOHN COMPANY (US) | 2003-08-28 | — | — | WO | disclosed |