Known targets — ChEMBL curated mechanism
ACHEADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3APH1AAPH1BCHRM2CHRM3EZH2GRIN2AHTR1AHTR1BHTR1DHTR1FHTR3ANCSTNP2RY12PSEN1PSEN2PSENENSIGMAR1SLC6A2SLC6A3SLC6A4
The experimentally established mechanism targets of Butane. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
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 | |
|---|---|---|---|---|
| Butane SCHEMBL27543855 | 0.93 | — | — | |
| Butane SCHEMBL9442188 | 0.93 | — | — | |
| Butane SCHEMBL57646 | 0.93 | — | — | |
| Butane SCHEMBL5129860 | 0.93 | TSHR (0.44) | — | |
| Butane SCHEMBL8463912 | 0.93 | — | — | |
| Butane SCHEMBL2979230 | 0.93 | — | — | |
| Butane SCHEMBL8412888 | 0.93 | TSHR (0.44) | — | |
| Butane SCHEMBL23567204 | 0.86 | — | — | |
| Butane SCHEMBL483021 | 0.86 | — | — | |
| Butane SCHEMBL10936920 | 0.86 | — | — |
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-1828122-A2 | N-PYRROLIDIN-3-YL-AMIDE DERIVATIVES AS SEROTONIN AND NORADRENALIN RE-UPTAKE INHIBITORS | Pfizer Limited (GB) | 2007-09-05 | — | — | EP | disclosed |
| WO-2006064351-A2 | N-PYRROLIDIN-3-YL-AMIDE DERIVATIVES AS SEROTONIN AND NORADRENALIN RE-UPTAKE INHIBITORS | PFIZER LIMITED (GB) | 2006-06-22 | — | — | WO | disclosed |