⚠ 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 | |
|---|---|---|---|---|
| Piperazine SCHEMBL6367258 | 0.72 | TSHR (0.37) | — | |
| SCHEMBL10482141 | 0.72 | CHRM3 (0.41) | — | |
| SCHEMBL5874855 | 0.70 | RXFP1 (0.47) | — | |
| SCHEMBL3652674 | 0.67 | — | — | |
| SCHEMBL10733625 | 0.67 | SIGMAR1 (0.35) | — | |
| SCHEMBL24120719 | 0.66 | SIGMAR1 (0.56) | — | |
| SCHEMBL4522298 | 0.66 | SIGMAR1 (0.56) | — | |
| SCHEMBL5875374 | 0.66 | TSHR (0.47) | — | |
| SCHEMBL11197360 | 0.65 | CA12 (0.44) | — | |
| SCHEMBL21467212 | 0.65 | SIGMAR1 (0.54) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20050004136-A1 | Novel amidoalkyl-piperidine and amidoalkyl-piperazine derivatives useful as neurokinin receptor modulators | PAN KEVIN (US) | 2005-01-06 | — | — | US | disclosed |
| US-20020183316-A1 | Amidoalkyl-piperidine and amidoalkyl-piperazine derivatives useful for the treatment of nervous system disorders | ORTHO-MCNEIL PHARMACEUTICAL, INC. | 2002-12-05 | — | — | US | disclosed |