Known targets — ChEMBL curated mechanism
ABL1BMXBRAFBTKCHRNA4CHRNB2CSNK1EEGFRERBB2F10FLT1FLT3FLT4IGF1RINSRITKJAK3KDRKITOPRM1PARP1PARP2PDGFRBPIK3CDRAF1RETSLC18A2TECTXKdacAdacBdacCftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR6 | P50406 | 12/20 | 0.43 |
| ▸ | RAD52 | P43351 | 1/20 | 0.34 |
| ▸ | HTR2C | P28335 | 3/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | DRD2 | P14416 | 1/20 | 0.33 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL8820622 | 0.86 | HTR2C (0.41) | HTR6HTR2CDRD2SLC6A4 | |
| SCHEMBL7859777 | 0.80 | HTR6 (0.44) | HTR6HTR2CCYP2D6 | |
| SCHEMBL7867549 | 0.79 | HTR6 (0.42) | HTR6CYP2D6DRD2SLC6A4 | |
| SCHEMBL7870932 | 0.79 | HTR6 (0.42) | HTR6CYP2D6DRD2SLC6A4 | |
| SCHEMBL7866418 | 0.78 | HTR6 (0.40) | HTR6RAD52HTR2CCYP2D6 | |
| SCHEMBL7866213 | 0.76 | HTR6 (0.46) | HTR6HTR2CCYP2D6 | |
| Aziridine SCHEMBL5185484 | 0.69 | ALDH1A1 (0.50) | CYP2D6 | |
| SCHEMBL7870834 | 0.68 | HTR6 (0.47) | HTR6HTR2C | |
| SCHEMBL23850965 | 0.68 | KDM4E (0.51) | HTR6HTR2CCYP2D6SLC6A4 | |
| SCHEMBL7864999 | 0.68 | HTR6 (0.39) | HTR6CYP2D6DRD2SLC6A4 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1077213-A2 | Inhibition of serotonin reuptake | ELI LILLY AND COMPANY (US) | 2001-02-21 | — | — | EP | disclosed |
| US-6046215-A | A PIPERIDINYLBENZOTHIOPHENES USEFUL FOR TRATING BRAIN DISORDERS | ELI LILLY AND COMPANY (US) | 2000-04-04 | — | — | US | disclosed |
| US-5846982-A | Inhibition of serotonin reuptake | ELI LILLY AND COMPANY (US) | 1998-12-08 | — | — | US | disclosed |
| EP-0812826-A1 | 1H-indole and benzo(b)thiophene derivatives with 4-(1,2,3,6-tetra:hydro:pyridinyl)- and 4-piperidinyl-groups bound to the heterocyclic ring as inhibitors of serotonin reuptake | ELI LILLY AND COMPANY (US) | 1997-12-17 | — | — | EP | disclosed |