⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2606281 | 0.89 | KCNH2 (0.58) | — | |
| SCHEMBL7290423 | 0.85 | KCNH2 (0.63) | — | |
| SCHEMBL4717139 | 0.84 | NOTUM (0.52) | — | |
| SCHEMBL16992253 | 0.84 | MAPT (0.50) | — | |
| SCHEMBL6247351 | 0.83 | OXTR (0.53) | — | |
| SCHEMBL15202979 | 0.83 | KCNH2 (0.58) | — | |
| SCHEMBL14438053 | 0.83 | — | — | |
| SCHEMBL31521532 | 0.83 | — | — | |
| SCHEMBL2707784 | 0.82 | GPR119 (0.52) | — | |
| SCHEMBL7446609 | 0.82 | OXTR (0.62) | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20090253727-A1 | NOCICEPTIN ANALOGS | PURDUE PHARMA L.P. (US) | 2009-10-08 | — | — | US | disclosed |
| US-20090253727-A1 | NOCICEPTIN ANALOGS | PURDUE PHARMA L.P. (US) | 2009-10-08 | — | — | US | disclosed |
| US-7563809-B2 | Nociceptin analogs | PURDUE PHARMA, L.P. (US) | 2009-07-21 | — | — | US | disclosed |
| US-7563809-B2 | Nociceptin analogs | PURDUE PHARMA, L.P. (US) | 2009-07-21 | — | — | US | disclosed |
| EP-1997818-A2 | Quinolinone derivatives and their use to treat pain | EURO-CELTIQUE S.A. (LU) | 2008-12-03 | — | — | EP | disclosed |
| EP-0714299-B1 | BENZOXAZINONE AND BENZOPYRIMIDINONE PIPERIDINYL TOCOLYTIC OXYTOCIN RECEPTOR ANTAGONISTS | MERCK & CO INC (US) | 2002-04-24 | — | — | EP | disclosed |
| US-5665719-A | Benzoxazinone and benzopyrimidinone piperidinyl tocolytic oxytocin receptor antagonists | MERCK & CO., INC. (US) | 1997-09-09 | — | — | US | disclosed |