Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR1 | P25103 | 16/20 | 0.55 |
| ▸ | TACR3 | P29371 | 1/20 | 0.44 |
| ▸ | CCR2 | P41597 | 2/20 | 0.37 |
| ▸ | RHOA | P61586 | 2/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL12809197 | 0.90 | TACR1 (0.54) | TACR1TACR3 | |
| SCHEMBL12809204 | 0.88 | TACR1 (0.63) | TACR1TACR3RHOA | |
| SCHEMBL3082292 | 0.88 | TACR1 (0.63) | TACR1TACR3RHOA | |
| SCHEMBL12809292 | 0.87 | TACR1 (0.64) | TACR1TACR3RHOA | |
| SCHEMBL3080528 | 0.86 | TACR1 (0.62) | TACR1TACR3CCR2RHOA | |
| SCHEMBL12809393 | 0.86 | TACR1 (0.61) | TACR1TACR3RHOA | |
| SCHEMBL4815673 | 0.84 | TACR1 (0.64) | TACR1TACR3RHOA | |
| SCHEMBL4815678 | 0.84 | TACR1 (0.64) | TACR1TACR3RHOA | |
| SCHEMBL13145004 | 0.84 | TACR1 (0.65) | TACR1TACR3RHOA | |
| SCHEMBL4818313 | 0.83 | TACR1 (0.64) | TACR1TACR3CCR2RHOA |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1581518-B1 | SUBSTITUTED 1-PIPERIDIN-4-YL-4-PYRROLIDIN-3-YL-PIPERAZINE DERIVATIVES AND THEIR USE AS NEUROKININ ANTAGONISTS | JANSSEN PHARMACEUTICA NV (BE) | 2011-03-02 | — | — | EP | disclosed |
| US-7795261-B2 | Substituted 1-piperidin-4-yl-4-pyrrolidin-3-yl-piperazine derivatives and their use as neurokinin antagonists | JANSSEN PHARMACEUTICA NV (BE) | 2010-09-14 | — | — | US | disclosed |
| US-7795261-B2 | Substituted 1-piperidin-4-yl-4-pyrrolidin-3-yl-piperazine derivatives and their use as neurokinin antagonists | JANSSEN PHARMACEUTICA NV (BE) | 2010-09-14 | — | — | US | disclosed |