Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR2 | P41597 | 20/20 | 0.61 |
| ▸ | CCR5 | P51681 | 4/20 | 0.54 |
| ▸ | KCNH2 | Q12809 | 8/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL14100841 | 1.00 | CCR2 (0.61) | CCR2CCR5KCNH2 | |
| SCHEMBL14599228 | 1.00 | CCR2 (0.61) | CCR2CCR5KCNH2 | |
| SCHEMBL14458827 | 0.84 | CCR2 (0.57) | CCR2CCR5 | |
| SCHEMBL14475650 | 0.84 | CCR2 (0.57) | CCR2CCR5 | |
| SCHEMBL14153659 | 0.82 | CCR2 (0.54) | CCR2CCR5KCNH2 | |
| SCHEMBL14101062 | 0.82 | CCR2 (0.54) | CCR2CCR5KCNH2 | |
| SCHEMBL14101059 | 0.82 | CCR2 (0.54) | CCR2CCR5KCNH2 | |
| SCHEMBL14107345 | 0.81 | CCR2 (0.60) | CCR2CCR5KCNH2 | |
| SCHEMBL14107346 | 0.81 | CCR2 (0.60) | CCR2CCR5KCNH2 | |
| SCHEMBL14107344 | 0.81 | CCR2 (0.60) | CCR2CCR5KCNH2 |
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 |
|---|---|---|---|---|---|---|---|
| US-7166614-B2 | Tetrahydropyranyl cyclopentyl tetrahydroisoquinoline modulators of chemokine receptor activity | MERCK & CO., INC. (US) | 2007-01-23 | — | — | US | disclosed |
| US-7166614-B2 | Tetrahydropyranyl cyclopentyl tetrahydroisoquinoline modulators of chemokine receptor activity | MERCK & CO., INC. (US) | 2007-01-23 | — | — | US | disclosed |