⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5083110 | 0.74 | — | — | |
| SCHEMBL182562 | 0.72 | — | — | |
| SCHEMBL6986820 | 0.72 | — | — | |
| SCHEMBL30769070 | 0.72 | — | — | |
| Bromide SCHEMBL1162778 | 0.72 | ACHE (0.38) | — | |
| Hydrochloric Acid SCHEMBL1445914 | 0.72 | ACHE (0.38) | — | |
| SCHEMBL31134997 | 0.71 | CYP11B1 (0.39) | — | |
| Hydrochloric Acid SCHEMBL11402787 | 0.70 | ACHE (0.36) | — | |
| SCHEMBL7808587 | 0.69 | ALDH1A1 (0.42) | — | |
| SCHEMBL45406 | 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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7601734-B2 | Such as methyl 5-(3,4-dihydro[1]benzofuro[3,2-c]pyridine-2(1H)-yl)-2,2-bis(4-fluorophenyl)pentanoate, having potent inhibitory effect on binding of alpha 2C-adrenoceptor; depression, anxiety, schizophrenia | TAISHO PHARMACEUTICAL CO., LTD. (JP) | 2009-10-13 | — | — | US | disclosed |
| US-20070244145-A1 | Cyclic Amine Compound | TAISHO PHARMACEUTICAL CO., LTD. (JP) | 2007-10-18 | — | — | US | disclosed |
| EP-1757605-A1 | CYCLIC AMINE COMPOUND | TAISHO PHARMACEUTICAL CO., LTD (JP) | 2007-02-28 | — | — | EP | disclosed |
| US-7049327-B2 | Substituted dimethyl-[1-(1-phenyl-cyclohexyl)-piperidin-3-ylmethyl]-amines and the use of the same as analgesics | GRUENENTHAL GMBH (DE) | 2006-05-23 | — | — | US | disclosed |
| US-20040127516-A1 | Substituted dimethyl-[1-(1-phenyl-cyclohexyl)-piperidin-3-ylmethyl]-amines and the use of the same as analgesics | GRUENENTHAL GMBH (DE) | 2004-07-01 | — | — | US | disclosed |