Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GPBAR1 | Q8TDU6 | 7/20 | 0.58 |
| ▸ | CNR1 | P21554 | 12/20 | 0.49 |
| ▸ | CNR2 | P34972 | 8/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.44 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
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 | |
|---|---|---|---|---|
| SCHEMBL14064679 | 0.95 | GPBAR1 (0.64) | GPBAR1CNR1CNR2KDM4EALDH1A1 | |
| SCHEMBL4825565 | 0.95 | GPBAR1 (0.64) | GPBAR1CNR1CNR2KDM4EALDH1A1 | |
| Trifluoroacetic Acid SCHEMBL4829894 | 0.78 | CNR1 (0.48) | CNR1CNR2 | |
| Trifluoroacetic Acid SCHEMBL4829974 | 0.74 | PTGER4 (0.50) | CNR1CNR2 | |
| Trifluoroacetic Acid SCHEMBL4831463 | 0.74 | CNR1 (0.46) | CNR1CNR2 | |
| SCHEMBL4825560 | 0.72 | CNR1 (0.50) | CNR1CNR2 | |
| SCHEMBL610192 | 0.72 | TSHR (0.49) | GPBAR1CNR1 | |
| SCHEMBL4823362 | 0.72 | CNR1 (0.53) | CNR1CNR2 | |
| SCHEMBL5201139 | 0.72 | CNR1 (0.53) | CNR1CNR2 | |
| SCHEMBL14064687 | 0.72 | CNR1 (0.53) | CNR1CNR2 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7423067-B2 | N-(3,4-diphenyl-2-butyl)cyclopentancarboxamide derivatives such as N-(2,3-bis(4-chlorophenyl)-1-methylpropyl)-3-benzoyl-cyclopentane-carboxamide; used for treating conditions including psychological disorders, eating disorders and substance abuse | MERCK & CO., INC. (US) | 2008-09-09 | — | — | US | disclosed |