⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27619812 | 0.84 | EPHX1 (0.31) | — | |
| SCHEMBL3715975 | 0.82 | — | — | |
| SCHEMBL8024184 | 0.79 | CYP2D6 (0.34) | — | |
| SCHEMBL7282908 | 0.70 | — | — | |
| SCHEMBL3540492 | 0.69 | — | — | |
| SCHEMBL27638721 | 0.67 | — | — | |
| SCHEMBL27619767 | 0.67 | — | — | |
| SCHEMBL519521 | 0.67 | — | — | |
| SCHEMBL676844 | 0.67 | — | — | |
| SCHEMBL3716136 | 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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20100305093-A1 | Inhibitors of mTOR and Methods of Making and Using | EXELIXIS, INC. (US) | 2010-12-02 | — | — | US | disclosed |
| US-7834182-B2 | histamine H3 receptor antagonists; metabolic disorders, sleep disorders, cardiovascular disorders, alcoholism, drug addiction, memory disorders, Alzheimer's, Parkinson's disease; 2-(4-piperidinylpiperidinyl)pyrimidine compounds such as 2-[(4-piperidin-1-yl)piperidin-1-yl]-5-(3-pyridyl)pyrimidine | BANYU PHARMACEUTICAL CO., LTD. (JP) | 2010-11-16 | — | — | US | disclosed |
| WO-2010118208-A1 | BENZOXAZEPIN-4- (5H) -YL DERIVATIVES AND THEIR USE TO TREAT CANCER | EXELIXIS, INC. (US) | 2010-10-14 | — | — | WO | disclosed |
| US-20090203710-A1 | Novel piperidine derivative | MSD K.K. (JP) | 2009-08-13 | — | — | US | disclosed |
| US-7547693-B2 | Such as N-methyl-N-(1-methylpiperidin-4-yl)-4-[4-(piperidin-1-yl)piperidin-1-yl]benzamide; histamine h3-antagonists | BANYU PHARMACEUTICAL CO. LTD. (JP) | 2009-06-16 | — | — | US | disclosed |
| US-20070105901-A1 | Novel piperidine derivative | MSD K.K. (JP) | 2007-05-10 | — | — | US | disclosed |
| EP-1669350-A1 | NOVEL PIPERIDINE DERIVATIVE | BANYU PHARMACEUTICAL CO., LTD. (JP) | 2006-06-14 | — | — | EP | disclosed |