⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4781128 | 0.68 | HSD11B1 (0.34) | — | |
| SCHEMBL27422134 | 0.68 | HSD11B1 (0.34) | — | |
| SCHEMBL633353 | 0.67 | SLC6A2 (0.43) | — | |
| SCHEMBL31234410 | 0.67 | — | — | |
| SCHEMBL27422130 | 0.66 | OPRM1 (0.34) | — | |
| SCHEMBL7458612 | 0.66 | OPRM1 (0.34) | — | |
| SCHEMBL31234457 | 0.65 | — | — | |
| SCHEMBL7898112 | 0.65 | OPRK1 (0.31) | — | |
| SCHEMBL7968110 | 0.64 | HTR6 (0.40) | — | |
| SCHEMBL7356160 | 0.64 | CHRNB4 (0.33) | — |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1990341-B1 | Triazolyl tropane derivatives as CCR5 modulators | PFIZER (US) | 2013-01-23 | — | — | EP | disclosed |
| US-20110160235-A1 | TRIAZOLYL TROPANE DERIVATIVES | CONCERT PHARMACEUTICALS, INC. (US) | 2011-06-30 | — | — | US | disclosed |
| US-20110160235-A1 | TRIAZOLYL TROPANE DERIVATIVES | CONCERT PHARMACEUTICALS, INC. (US) | 2011-06-30 | — | — | US | disclosed |
| US-7932235-B2 | N-{3-[3-(3-Isopropyl-5-methyl-4H-1,2,4-triazol-4-yl)-exo-8-azabicyclo[3.2.1]oct-8-yl]-1-phenylpropyl}-4,4-difluorocyclohexanecarboxamide; with deuterium isotop; chemokine (C-C motif) CCR5 receptor antagonist; antiinflammatory agent, viricide; with other active ingredients; HIV, AIDS, multiple sclerosis | CONCERT PHARMACEUTICALS, INC. (US) | 2011-04-26 | — | — | US | disclosed |
| US-7932235-B2 | N-{3-[3-(3-Isopropyl-5-methyl-4H-1,2,4-triazol-4-yl)-exo-8-azabicyclo[3.2.1]oct-8-yl]-1-phenylpropyl}-4,4-difluorocyclohexanecarboxamide; with deuterium isotop; chemokine (C-C motif) CCR5 receptor antagonist; antiinflammatory agent, viricide; with other active ingredients; HIV, AIDS, multiple sclerosis | CONCERT PHARMACEUTICALS, INC. (US) | 2011-04-26 | — | — | US | disclosed |
| US-7932235-B2 | N-{3-[3-(3-Isopropyl-5-methyl-4H-1,2,4-triazol-4-yl)-exo-8-azabicyclo[3.2.1]oct-8-yl]-1-phenylpropyl}-4,4-difluorocyclohexanecarboxamide; with deuterium isotop; chemokine (C-C motif) CCR5 receptor antagonist; antiinflammatory agent, viricide; with other active ingredients; HIV, AIDS, multiple sclerosis | CONCERT PHARMACEUTICALS, INC. (US) | 2011-04-26 | — | — | US | disclosed |
| EP-1990341-A1 | Triazolyl tropane derivatives as CCR5 modulators | Pfizer Inc. (US) | 2008-11-12 | — | — | EP | disclosed |
| WO-2008063600-A3 | TRIAZOLYL TROPANE DERIVATIVES | CONCERT PHARMACEUTICALS INC (US) | 2008-07-10 | — | — | WO | disclosed |
| US-20080161264-A1 | TRIAZOLYL TROPANE DERIVATIVES | CONCERT PHARMACEUTICALS INC. (US) | 2008-07-03 | — | — | US | disclosed |
| US-20080161264-A1 | TRIAZOLYL TROPANE DERIVATIVES | CONCERT PHARMACEUTICALS INC. (US) | 2008-07-03 | — | — | US | disclosed |
| WO-2008063600-A2 | TRIAZOLYL TROPANE DERIVATIVES | CONCERT PHARMACEUTICALS INC. (US) | 2008-05-29 | — | — | WO | disclosed |
| WO-2008063600-A2 | TRIAZOLYL TROPANE DERIVATIVES | CONCERT PHARMACEUTICALS INC. (US) | 2008-05-29 | — | — | WO | disclosed |