⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8139573 | 0.89 | CCNE1 (0.39) | — | |
| SCHEMBL8144000 | 0.76 | — | — | |
| SCHEMBL16654616 | 0.74 | HTR2C (0.38) | — | |
| SCHEMBL9009527 | 0.71 | JAK2 (0.32) | — | |
| SCHEMBL31747889 | 0.70 | POLB (0.38) | — | |
| SCHEMBL16655119 | 0.67 | HTR2C (0.36) | — | |
| SCHEMBL13505556 | 0.66 | GPR35 (0.41) | — | |
| SCHEMBL31330166 | 0.65 | CNR2 (0.46) | — | |
| SCHEMBL9956842 | 0.64 | SLC6A3 (0.31) | — | |
| SCHEMBL6628422 | 0.64 | MAPT (0.36) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1914236-A1 | Novel heteroaryl alkylamide derivatives useful as bradykinin receptor modulators | Ortho-McNeil Pharmaceutical, Inc. (US) | 2008-04-23 | — | — | EP | disclosed |
| US-7358261-B2 | Heteroaryl alkylamide derivatives useful as bradykinin receptor modulators | ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) | 2008-04-15 | — | — | US | disclosed |
| US-6958349-B2 | Heteroaryl alkylamide derivatives useful as bradykinin receptor modulators | ORTHO-MCNEIL PHARMACEUTICALS, INC. (US) | 2005-10-25 | — | — | US | disclosed |
| US-20050159443-A1 | Novel heteroaryl alkylamide derivatives useful as bradykinin receptor modulators | CARSON JOHN R (US) | 2005-07-21 | — | — | US | disclosed |
| EP-1495017-A2 | NOVEL HETEROARYL ALKYLAMIDE DERIVATIVES USEFUL AS BRADYKININ RECEPTOR MODULATORS | Ortho-McNeil Pharmaceutical, Inc. (US) | 2005-01-12 | — | — | EP | disclosed |
| US-20040192720-A1 | Novel heteroaryl alkylamide derivatives useful as bradykinin receptor modulators | ORTHO-MCNEIL PHARMACEUTICAL, INC. | 2004-09-30 | — | — | US | disclosed |
| WO-2003087090-A2 | NOVEL HETEROARYL ALKYLAMIDE DERIVATIVES USEFUL AS BRADYKININ RECEPTOR MODULATORS | ORTHO-MCNEIL PHARMACEUTICAL,INC. (US) | 2003-10-23 | — | — | WO | disclosed |