Known targets — ChEMBL curated mechanism
ACHEBDKRB2CHRM1CHRM2CHRM3CHRNA1CHRNB1CHRNDCHRNECHRNGGUCY1A1GUCY1A2GUCY1B1GUCY1B2NAMPTPTAFRSLC10A2SLC6A2SLC6A3TACR1dacAdacBdacCftsImrcAmrcBmrdA
The experimentally established mechanism targets of Hydrochloric Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL7893683 | 0.82 | — | — | |
| Hydrochloric Acid SCHEMBL19132 | 0.82 | — | — | |
| Hydrochloric Acid SCHEMBL2031841 | 0.82 | CYP3A4 (0.33) | — | |
| Hydrochloric Acid SCHEMBL11328630 | 0.67 | — | — | |
| Hydrochloric Acid SCHEMBL2510725 | 0.67 | — | — | |
| Hydrochloric Acid SCHEMBL1651795 | 0.67 | — | — | |
| Hydrochloric Acid SCHEMBL1586674 | 0.67 | — | — | |
| Hydrochloric Acid SCHEMBL284626 | 0.67 | — | — | |
| Hydrochloric Acid SCHEMBL9576364 | 0.67 | — | — | |
| Bromide SCHEMBL8943235 | 0.67 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0157399-B1 | 4-(5H-Dibenzo[a,d]cyclohepten-5-yl) piperidine compounds | MERCK & CO. INC. (US) | 1989-08-16 | — | — | EP | disclosed |
| US-4758577-A | 4-(5H-dibenzo[a,d]cyclohepten-5-yl)piperidine compounds for treating cardiovascular disorders | MERCK & CO., INC. (US) | 1988-07-19 | — | — | US | disclosed |
| EP-0157399-A2 | 4-(5H-Dibenzo[a,d]cyclohepten-5-yl) piperidine compounds | MERCK & CO. INC. (US) | 1985-10-09 | — | — | EP | disclosed |