Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR1 | P25103 | 12/20 | 0.50 |
| ▸ | TACR3 | P29371 | 1/20 | 0.42 |
| ▸ | CCR3 | P51677 | 6/20 | 0.42 |
| ▸ | MGLL | Q99685 | 1/20 | 0.42 |
| ▸ | TACR2 | P21452 | 3/20 | 0.41 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL3086886 | 1.00 | TACR1 (0.50) | TACR1TACR3CCR3MGLLTACR2 | |
| SCHEMBL4818007 | 0.89 | TACR1 (0.60) | TACR1TACR3CHRM2 | |
| SCHEMBL5214562 | 0.89 | TACR1 (0.60) | TACR1TACR3CHRM2 | |
| SCHEMBL4818011 | 0.89 | TACR1 (0.60) | TACR1TACR3CHRM2 | |
| SCHEMBL3208966 | 0.88 | TACR1 (0.49) | TACR1TACR3CCR3TACR2 | |
| SCHEMBL3208973 | 0.88 | TACR1 (0.49) | TACR1TACR3CCR3TACR2 | |
| SCHEMBL3212277 | 0.88 | TACR1 (0.49) | TACR1TACR3CCR3TACR2 | |
| SCHEMBL3088212 | 0.88 | TACR1 (0.49) | TACR1TACR3CCR3TACR2 | |
| SCHEMBL12809224 | 0.88 | TACR1 (0.49) | TACR1TACR3CCR3TACR2 | |
| SCHEMBL12809138 | 0.87 | TACR1 (0.46) | TACR1TACR3CCR3TACR2 |
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-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 | claimed |
| 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 |