⚠ 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 | |
|---|---|---|---|---|
| Benzonitrile SCHEMBL21752925 | 0.73 | — | — | |
| Benzonitrile SCHEMBL2153738 | 0.73 | TSHR (1.00) | — | |
| Benzonitrile SCHEMBL30929383 | 0.73 | TSHR (1.00) | — | |
| Benzonitrile SCHEMBL6640 | 0.73 | — | — | |
| Benzonitrile SCHEMBL11044747 | 0.73 | — | — | |
| Benzonitrile SCHEMBL27793280 | 0.73 | TSHR (1.00) | — | |
| Benzonitrile SCHEMBL27363057 | 0.73 | TSHR (1.00) | — | |
| Benzonitrile SCHEMBL9464940 | 0.73 | TSHR (1.00) | — | |
| Benzonitrile SCHEMBL25253064 | 0.71 | TSHR (0.93) | — | |
| Benzonitrile SCHEMBL2708030 | 0.71 | — | — |
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 94 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1858888-B1 | HETEROARYL SUBSTITUTED PYRAZINYL-PIPERAZINE-PIPERIDINES WITH CXCR3 ANTAGONIST ACTIVITY | MERCK SHARP & DOHME (US) | 2013-04-17 | — | — | EP | claimed |
| EP-1856097-B1 | PYRIDYL AND PHENYL SUBSTITUTED PIPERAZINE-PIPERIDINES WITH CXCR3 ANTAGONIST ACTIVITY | SCHERING CORP (US) | 2012-07-11 | — | — | EP | claimed |
| EP-1853583-B1 | AMINE-LINKED PYRIDYL AND PHENYL SUBSTITUTED PIPERAZINE-PIPERIDINES WITH CXCR3 ANTAGONIST ACTIVITY | SCHERING CORP (US) | 2011-09-07 | — | — | EP | claimed |
| JP-4688889-B2 | — | — | 2011-05-25 | — | — | JP | claimed |
| US-7879838-B2 | Chemokine receptor antagonists used for the treatment of inflammatory diseases, autoimmune diseases, transplant rejection, infectious diseases, drug sensitivity, ophthalmic inflammation, type I diabetes, viral meningitis and tumors | SCHERING CORPORATION (US) | 2011-02-01 | — | — | US | claimed |
| US-7868005-B2 | Pyrazinyl substituted piperazine-piperidines with CXCR3 antagonist activity | SCHERING CORPORATION (US) | 2011-01-11 | — | — | US | claimed |
| US-7776862-B2 | Pyridyl and phenyl substituted piperazine-piperidines with CXCR3 antagonist activity | SCHERING CORPORATION (US) | 2010-08-17 | — | — | US | claimed |
| US-7566718-B2 | Amine-linked pyridyl and phenyl substituted piperazine-piperidines with CXCR3 antagonist activity | SCHERING CORPORATION (US) | 2009-07-28 | — | — | US | claimed |
| EP-1858888-A2 | HETEROARYL SUBSTITUTED PYRAZINYL-PIPERAZINE-PIPERIDINES WITH CXCR3 ANTAGONIST ACTIVITY | SCHERING CORPORATION (US) | 2007-11-28 | — | — | EP | claimed |
| EP-1856097-A2 | PYRIDYL AND PHENYL SUBSTITUTED PIPERAZINE-PIPERIDINES WITH CXCR3 ANTAGONIST ACTIVITY | SCHERING CORPORATION (US) | 2007-11-21 | — | — | EP | claimed |
| US-20070054919-A1 | Pyrazinyl substituted piperazine-piperidines with CXCR3 antagonist activity | SCHERING CORPORATION | 2007-03-08 | — | — | US | claimed |
| US-20070021611-A1 | Pyridyl and phenyl substituted piperazine-piperidines with CXCR3 antagonist activity | SCHERING CORPORATION | 2007-01-25 | — | — | US | claimed |
| US-20060276448-A1 | Heteroaryl substituted pyrazinyl-piperazine-piperidines with CXCR3 antagonist activity | SCHERING CORPORATION AND PHARMACOPEIA DRUG DISCOVERY, INC. | 2006-12-07 | — | — | US | claimed |
| US-20060276480-A1 | 1-(3-Chloro,4-methylsulfonamidopyrid-2-yl),3-ethyl,4-((2-methoxy,4-chlorophenyl)-piperidin-4-yl)-piperazine; chemokine receptor antagonist; G-proteind coupled receptor inhibitors; antiinflammatory agents; psoriasis; antitumor/-carcinogenic agents; antidiabetic agents viricides; autoimmune diseases | Schering Corporation and | 2006-12-07 | — | — | US | claimed |
| WO-2006091428-A2 | HETEROARYL SUBSTITUTED PYRAZINYL-PIPERAZINE-PIPERIDINES WITH CXCR3 ANTAGONIST ACTIVITY | SCHERING CORPORATION (US) | 2006-08-31 | — | — | WO | claimed |
| WO-2006088920-A1 | AMINE-LINKED PYRIDYL AND PHENYL SUBSTITUTED PIPERAZINE-PIPERIDINES WITH CXCR3 ANTAGONIST ACTIVITY | SCHERING CORPORATION (US) | 2006-08-24 | — | — | WO | claimed |
| WO-2006088921-A2 | PYRAZINYL SUBSTITUTED PIPERAZINE-PIPERIDINES WITH CXCR3 ANTAGONIST ACTIVITY | SCHERING CORPORATION (US) | 2006-08-24 | — | — | WO | claimed |
| WO-2006088919-A2 | PYRIDYL AND PHENYL SUBSTITUTED PIPERAZINE-PIPERIDINES WITH CXCR3 ANTAGONIST ACTIVITY | SCHERING CORPORATION (US) | 2006-08-24 | — | — | WO | claimed |
| EP-0447891-B1 | Thieno(2,3-d)pyrimidine derivatives | BASF AG (DE) | 1994-04-27 | — | — | EP | claimed |
| EP-0077983-A1 | Triazine derivatives, processes for preparation thereof and pharmaceutical compositions comprising the same | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 1983-05-04 | — | — | EP | claimed |