⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17115068 | 0.82 | NPC1 (0.37) | — | |
| SCHEMBL3460221 | 0.74 | CCRL2 (0.38) | — | |
| SCHEMBL17115059 | 0.74 | NPC1 (0.47) | — | |
| SCHEMBL629139 | 0.70 | NPC1 (0.32) | — | |
| SCHEMBL10105655 | 0.65 | HCRTR1 (0.43) | — | |
| SCHEMBL31061842 | 0.62 | HCRTR1 (0.37) | — | |
| SCHEMBL22930727 | 0.60 | POLB (0.37) | — | |
| SCHEMBL13698838 | 0.60 | HCRTR1 (0.42) | — | |
| SCHEMBL18603162 | 0.59 | CPT2 (0.31) | — | |
| SCHEMBL13163067 | 0.59 | HDAC6 (0.43) | — |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2419417-B1 | 4-AZETIDINYL-1-HETEROARYL-CYCLOHEXANE ANTAGONISTS OF CCR2 | JANSSEN PHARMACEUTICA NV (BE) | 2015-03-25 | — | — | EP | disclosed |
| EP-2419417-B1 | 4-AZETIDINYL-1-HETEROARYL-CYCLOHEXANE ANTAGONISTS OF CCR2 | JANSSEN PHARMACEUTICA NV (BE) | 2015-03-25 | — | — | EP | disclosed |
| US-8269015-B2 | 4-azetidinyl-1-heteroaryl-cyclohexane antagonists of CCR2 | JANSSEN PHARMACEUTICA N.V. (BE) | 2012-09-18 | — | — | US | disclosed |
| US-8269015-B2 | 4-azetidinyl-1-heteroaryl-cyclohexane antagonists of CCR2 | JANSSEN PHARMACEUTICA N.V. (BE) | 2012-09-18 | — | — | US | disclosed |
| US-8269015-B2 | 4-azetidinyl-1-heteroaryl-cyclohexane antagonists of CCR2 | JANSSEN PHARMACEUTICA N.V. (BE) | 2012-09-18 | — | — | US | disclosed |
| EP-2419417-A1 | 4-AZETIDINYL-1-HETEROARYL-CYCLOHEXANE ANTAGONISTS OF CCR2 | Janssen Pharmaceutica, N.V. (BE) | 2012-02-22 | — | — | EP | disclosed |
| WO-2010121011-A1 | 4-AZETIDINYL-1-HETEROARYL-CYCLOHEXANE ANTAGONISTS OF CCR2 | JANSSEN PHARMACEUTICA NV (BE) | 2010-10-21 | — | — | WO | disclosed |
| WO-2010121011-A1 | 4-AZETIDINYL-1-HETEROARYL-CYCLOHEXANE ANTAGONISTS OF CCR2 | JANSSEN PHARMACEUTICA NV (BE) | 2010-10-21 | — | — | WO | disclosed |
| US-20100267688-A1 | 4-AZETIDINYL-1-HETEROARYL-CYCLOHEXANE ANTAGONISTS OF CCR2 | JANSSEN PHARMACEUTICA N.V. (BE) | 2010-10-21 | — | — | US | disclosed |
| US-20100267688-A1 | 4-AZETIDINYL-1-HETEROARYL-CYCLOHEXANE ANTAGONISTS OF CCR2 | JANSSEN PHARMACEUTICA N.V. (BE) | 2010-10-21 | — | — | US | disclosed |
| US-20100267688-A1 | 4-AZETIDINYL-1-HETEROARYL-CYCLOHEXANE ANTAGONISTS OF CCR2 | JANSSEN PHARMACEUTICA N.V. (BE) | 2010-10-21 | — | — | US | disclosed |