Known targets — ChEMBL curated mechanism
ACHEADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3APH1AAPH1BCHRM2CHRM3EZH2GRIN2AHTR1AHTR1BHTR1DHTR1FHTR3ANCSTNP2RY12PSEN1PSEN2PSENENSIGMAR1SLC6A2SLC6A3SLC6A4
The experimentally established mechanism targets of Bromide. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
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 | |
|---|---|---|---|---|
| Bromide SCHEMBL489645 | 1.00 | — | — | |
| Bromide SCHEMBL735262 | 1.00 | — | — | |
| SCHEMBL31225133 | 0.97 | — | — | |
| SCHEMBL75737 | 0.97 | — | — | |
| SCHEMBL75738 | 0.97 | — | — | |
| SCHEMBL489083 | 0.97 | — | — | |
| SCHEMBL31266879 | 0.93 | — | — | |
| Potassium SCHEMBL31266896 | 0.93 | — | — | |
| Hydrochloric Acid SCHEMBL238775 | 0.93 | — | — | |
| Hydrochloric Acid SCHEMBL902194 | 0.93 | — | — |
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 40 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1786800-B1 | 1,4-Diarylpiperazine derivatives as capsaicin receptor modulators for treating pain | NEUROGEN CORP (US) | 2017-01-04 | — | — | EP | disclosed |
| US-9108948-B2 | Cyclopropyl amine derivatives | ABBVIE INC. (US) | 2015-08-18 | — | — | US | disclosed |
| EP-2049472-B1 | CYCLOPROPYL AMINE DERIVATIVES AS HISTAMIN H3 RECEPTOR MODULATORS | ABBVIE BAHAMAS LTD (BS) | 2015-01-21 | — | — | EP | disclosed |
| US-8829041-B2 | Cyclopropyl amine derivatives | ABBVIE INC. (US) | 2014-09-09 | — | — | US | disclosed |
| EP-1951660-B1 | HISTAMINE-3 RECEPTOR ANTAGONISTS | PFIZER PROD INC (US) | 2013-12-11 | — | — | EP | disclosed |
| US-8389743-B2 | Histamine-3 receptor antagonists | PFIZER INC. (US) | 2013-03-05 | — | — | US | disclosed |
| US-8334382-B2 | Substituted biaryl piperazinyl-pyridine analogues | NEUROGEN CORPORATION (US) | 2012-12-18 | — | — | US | disclosed |
| US-20120220568-A1 | Histamine-3 Receptor Antagonists | PFIZER INC. | 2012-08-30 | — | — | US | disclosed |
| US-8158673-B2 | Cis-3-(3-fluoro-4-pyrrolidin-1-ylmethyl-phenyl)-cyclobutanecaboxylic acid dimethylamide; for treatment of disorders or conditions that may be treated by antagonizing histamine-3 (H3) receptors; Alzheimer disease, mood and cognitive disorders, attention deficit hyperactive disorder, schizophrenia | PFIZER INC. (US) | 2012-04-17 | — | — | US | disclosed |
| US-20110003813-A1 | SUBSTITUTED BIARYL PIPERAZINYL-PYRIDINE ANALOGUES | NEUROGEN CORPORATION | 2011-01-06 | — | — | US | disclosed |
| WO-2005007648-A2 | BIARYL PIPERAZINYL-PYRIDINE ANALOGUES | NEUROGEN CORPORATION (US) | 2005-01-27 | — | — | WO | disclosed |
| US-20040019083-A1 | Asymmetric synthesis of (S,S,R)-(-)-actinonin and its analogs and uses therefor | SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH | 2004-01-29 | — | — | US | disclosed |
| US-6660741-B2 | Coupling an O-protected methoxypyrrolidine or derivatives with N-protected amino acid 2,5-dioxo-pyrrolidinyl ester to form intermediate, deportecting with trifluoroacetic acid to form pyrrolidine-1-carbonyl-2-methylamine or derivatives | SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH | 2003-12-09 | — | — | US | disclosed |
| US-20030153548-A1 | Histamine-3 receptor ligands for diabetic conditions | ABBOTT LABORATORIES | 2003-08-14 | — | — | US | disclosed |
| US-20030134835-A1 | Histamine-3 receptor ligands for diabetes conditions | ABBOTT LABORATORIES | 2003-07-17 | — | — | US | disclosed |
| US-20020198156-A1 | Asymmetric synthesis of (S,S,R)-(-)-actinonin and its analogs and uses therefor | SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH | 2002-12-26 | — | — | US | disclosed |
| US-20020183309-A1 | Novel amines as histamine-3 receptor ligands and their therapeutic applications | ABBOTT LABORATORIES | 2002-12-05 | — | — | US | disclosed |
| US-20020177589-A1 | Novel amines as histamine-3 receptor ligands and their therapeutic applications | ABBOTT LABORATORIES | 2002-11-28 | — | — | US | disclosed |
| US-4124693-A | COMPLEXING WITH ASYMMETRICAL QUATERNARY AMMONIUM BROMIDES | EXXON RESEARCH & ENGINEERING CO. (US) | 1978-11-07 | — | — | US | disclosed |
| US-4068046-A | TETRAORGANO AMMONIUM SALT BROMINE COMPLEXING AGENT | EXXON RESEARCH AND ENGINEERING COMPANY (US) | 1978-01-10 | — | — | US | disclosed |