Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR2 | P41597 | 3/20 | 0.43 |
| ▸ | SLC6A3 | Q01959 | 10/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.37 |
| ▸ | APP | P05067 | 1/20 | 0.37 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.37 |
| ▸ | PSEN1 | P49768 | 1/20 | 0.37 |
| ▸ | PSEN2 | P49810 | 1/20 | 0.37 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.37 |
| ▸ | APH1B | Q8WW43 | 1/20 | 0.37 |
| ▸ | NCSTN | Q92542 | 1/20 | 0.37 |
| ▸ | APH1A | Q96BI3 | 1/20 | 0.37 |
| ▸ | PSENEN | Q9NZ42 | 1/20 | 0.37 |
| ▸ | SLC6A4 | P31645 | 9/20 | 0.37 |
| ▸ | SLC6A2 | P23975 | 7/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.37 |
| ▸ | TACR3 | P29371 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL3742183 | 1.00 | CCR2 (0.43) | CCR2SLC6A3CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL3738091 | 0.86 | SLC6A3 (0.40) | CCR2SLC6A3CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL3738092 | 0.86 | SLC6A3 (0.40) | CCR2SLC6A3CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL3753394 | 0.85 | CCR2 (0.41) | CCR2SLC6A3CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL3753398 | 0.85 | CCR2 (0.41) | CCR2SLC6A3CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL3753400 | 0.85 | CCR2 (0.41) | CCR2SLC6A3CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL24389394 | 0.83 | ADAM17 (0.43) | CCR2SLC6A3SLC6A4SLC6A2TACR3 | |
| SCHEMBL13734024 | 0.83 | ADAM17 (0.43) | CCR2SLC6A3SLC6A4SLC6A2TACR3 | |
| SCHEMBL24389415 | 0.83 | ADAM17 (0.43) | CCR2SLC6A3SLC6A4SLC6A2TACR3 | |
| SCHEMBL3744100 | 0.80 | CCR2 (0.38) | CCR2SLC6A3CYP3A4CYP2C9CYP2C19 |
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-1656349-A1 | CYCLOPROPYL DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS | H. Lundbeck A/S (DK) | 2006-05-17 | — | — | EP | disclosed |
| WO-2005016884-A1 | CYCLOPROPYL DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS | H. LUNDBECK A/S (DK) | 2005-02-24 | — | — | WO | disclosed |