Known targets — ChEMBL curated mechanism
ABL1BMXBRAFBTKCHRNA4CHRNB2CSNK1EEGFRERBB2F10FLT1FLT3FLT4IGF1RINSRITKJAK3KDRKITOPRM1PARP1PARP2PDGFRBPIK3CDRAF1RETSLC18A2TECTXKdacAdacBdacCftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Water. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 2)
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
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 | |
|---|---|---|---|---|
| SCHEMBL9640540 | 0.88 | CNR1 (0.83) | CNR1CNR2 | |
| Water SCHEMBL9640484 | 0.80 | CNR1 (0.59) | CNR1CNR2 | |
| SCHEMBL29362376 | 0.80 | CNR1 (1.00) | CNR1CNR2 | |
| SCHEMBL10093017 | 0.80 | CNR1 (1.00) | CNR1CNR2 | |
| SCHEMBL2075998 | 0.78 | CNR2 (0.80) | CNR1CNR2 | |
| SCHEMBL9641362 | 0.75 | CNR1 (0.62) | CNR1CNR2 | |
| Hydrochloric Acid SCHEMBL9640773 | 0.74 | CNR1 (0.61) | CNR1CNR2 | |
| SCHEMBL15999004 | 0.74 | CNR1 (0.59) | CNR1CNR2 | |
| SCHEMBL15997747 | 0.72 | CNR1 (0.68) | CNR1CNR2 | |
| SCHEMBL10669175 | 0.72 | CNR1 (1.00) | CNR1CNR2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0278265-B1 | 1- [(4-Morpholinyl) alkyl] -1H-indoles useful as analgesics and preparation thereof | STERLING WINTHROP INC. (US) | 1992-09-09 | — | — | EP | disclosed |
| US-5081122-A | Antiglaucoma compositions containing 4-arylcarbonyl-1-(4-morpholinyl)-lower-alkyl)-1H-indoles and method of use thereof | STERLING DRUG INC. (US) | 1992-01-14 | — | — | US | disclosed |
| US-4874761-A | ANALGESICS | STERLING DRUG INC. (US) | 1989-10-17 | — | — | US | disclosed |
| US-4840950-A | ANALGESICS | STERLING DRUG INC. (US) | 1989-06-20 | — | — | US | disclosed |
| EP-0278265-A1 | 1- [(4-Morpholinyl) alkyl] -1H-indoles useful as analgesics and preparation thereof | STERLING WINTHROP INC. (US) | 1988-08-17 | — | — | EP | disclosed |