⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7348157 | 0.66 | HTR4 (0.41) | — | |
| SCHEMBL7349621 | 0.64 | MYC (0.33) | — | |
| SCHEMBL7325733 | 0.59 | OPRD1 (0.32) | — | |
| SCHEMBL679426 | 0.55 | TSHR (0.49) | — | |
| SCHEMBL9635266 | 0.55 | HTR6 (0.44) | — | |
| SCHEMBL4878097 | 0.55 | HTR2C (0.53) | — | |
| Hydrochloric Acid SCHEMBL11229294 | 0.54 | HTR6 (0.43) | — | |
| SCHEMBL27976077 | 0.54 | TSHR (0.47) | — | |
| SCHEMBL27555747 | 0.54 | ALDH1A1 (0.43) | — | |
| SCHEMBL28794378 | 0.54 | MAOA (0.41) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0664794-A1 | N-ALKYLPIPERIDINYL-4-METHYL CARBOXYLIC ESTERS/AMIDES OF CONDENSED RING SYSTEMS AS 5-HT4 RECEPTOR ANTAGONISTS | SMITHKLINE BEECHAM PLC (GB) | 1995-08-02 | — | — | EP | claimed |
| WO-1994008965-A1 | N-ALKYLPIPERIDINYL-4-METHYL CARBOXYLIC ESTERS/AMIDES OF CONDENSED RING SYSTEMS AS 5-HT4 RECEPTOR ANTAGONISTS | SMITHKLINE BEECHAM PLC (GB) | 1994-04-28 | — | — | WO | claimed |
| EP-0664794-A1 | N-ALKYLPIPERIDINYL-4-METHYL CARBOXYLIC ESTERS/AMIDES OF CONDENSED RING SYSTEMS AS 5-HT4 RECEPTOR ANTAGONISTS | SMITHKLINE BEECHAM PLC (GB) | 1995-08-02 | — | — | EP | disclosed |
| WO-1994008965-A1 | N-ALKYLPIPERIDINYL-4-METHYL CARBOXYLIC ESTERS/AMIDES OF CONDENSED RING SYSTEMS AS 5-HT4 RECEPTOR ANTAGONISTS | SMITHKLINE BEECHAM PLC (GB) | 1994-04-28 | — | — | WO | disclosed |