⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2651782 | 0.70 | DRD1 (0.42) | — | |
| SCHEMBL534240 | 0.56 | — | — | |
| SCHEMBL2038975 | 0.56 | — | — | |
| SCHEMBL3128749 | 0.56 | — | — | |
| SCHEMBL1154373 | 0.55 | — | — | |
| SCHEMBL2559407 | 0.55 | — | — | |
| SCHEMBL403894 | 0.53 | MTOR (0.43) | — | |
| SCHEMBL1149187 | 0.53 | — | — | |
| SCHEMBL990506 | 0.52 | — | — | |
| SCHEMBL15549158 | 0.51 | DRD1 (0.32) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20140038968-A1 | AMINO-HETEROARYL-CONTAINING PROKINETICIN 1 RECEPTOR ANTAGONISTS | COATS STEVEN J (US) | 2014-02-06 | — | — | US | disclosed |
| US-8324380-B2 | Amino-heteroaryl-containing prokineticin 1 receptor antagonists | JANSSEN PHARMACEUTICA NV (BE) | 2012-12-04 | — | — | US | disclosed |
| US-20090163505-A1 | AMINO-HETEROARYL-CONTAINING PROKINETICIN 1 RECEPTOR ANTAGONISTS | JANSSEN PHARMACEUTICA NV (BE) | 2009-06-25 | — | — | US | disclosed |