Known targets — ChEMBL curated mechanism
ACHEBDKRB2CHRM1CHRM2CHRM3CHRNA1CHRNB1CHRNDCHRNECHRNGGUCY1A1GUCY1A2GUCY1B1GUCY1B2NAMPTPTAFRSLC10A2SLC6A2SLC6A3TACR1dacAdacBdacCftsImrcAmrcBmrdA
The experimentally established mechanism targets of Praxadine. 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 | |
|---|---|---|---|---|
| Praxadine SCHEMBL28203296 | 1.00 | — | — | |
| Praxadine SCHEMBL94070 | 0.98 | — | — | |
| Praxadine SCHEMBL52095 | 0.95 | — | — | |
| Praxadine SCHEMBL3579034 | 0.95 | NOS1 (0.95) | — | |
| Praxadine SCHEMBL5396070 | 0.84 | NOS1 (0.74) | — | |
| Praxadine SCHEMBL8132131 | 0.82 | NOS1 (0.71) | — | |
| Praxadine SCHEMBL31705643 | 0.82 | — | — | |
| Praxadine SCHEMBL2301207 | 0.80 | NOS1 (0.67) | — | |
| SCHEMBL14936408 | 0.77 | NOS1 (0.65) | — | |
| SCHEMBL5378534 | 0.75 | — | — |
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-7776884-B2 | Cyclic derivatives as modulators of chemokine receptors activity | BRISTOL-MYERS SQUIBB COMPANY (US) | 2010-08-17 | — | — | US | disclosed |
| EP-1483241-A4 | CYCLIC DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY | BRISTOL MYERS SQUIBB CO (US) | 2006-12-13 | — | — | EP | disclosed |
| US-7087604-B2 | Cyclic derivatives as modulators of chemokine receptor activity | BRISTOL-MYERS SQUIBB COMPANY (US) | 2006-08-08 | — | — | US | disclosed |
| US-20060135503-A1 | Cyclic derivatives as modulators of chemokine receptors activity | CHERNEY ROBERT J | 2006-06-22 | — | — | US | disclosed |
| EP-1483241-A2 | CYCLIC DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY | Bristol-Myers Squibb Company (US) | 2004-12-08 | — | — | EP | disclosed |
| US-20030216434-A1 | Cyclic derivatives as modulators of chemokine receptor activity | BRISTOL-MYERS SQUIBB COMPANY | 2003-11-20 | — | — | US | disclosed |
| WO-2003075853-A2 | CYCLIC DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY | BRISTOL-MYERS SQUIBB COMPANY (US) | 2003-09-18 | — | — | WO | disclosed |