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 | 0.47 |
| ▸ | HTR2C | P28335 | 6/20 | 0.43 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.43 |
| ▸ | IKBKB | O14920 | 1/20 | 0.40 |
| ▸ | CHUK | O15111 | 1/20 | 0.40 |
| ▸ | BRPF1 | P55201 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL6782459 | 0.84 | HTR2C (0.58) | HTR6HTR2CADRB2IKBKBCHUK | |
| SCHEMBL7866213 | 0.79 | HTR6 (0.46) | HTR6HTR2C | |
| SCHEMBL7867918 | 0.76 | HRH4 (0.44) | HTR6HTR2C | |
| SCHEMBL7859777 | 0.75 | HTR6 (0.44) | HTR6HTR2CADRB2 | |
| SCHEMBL7867337 | 0.74 | APP (0.43) | HTR6HTR2CADRB2 | |
| SCHEMBL23850965 | 0.73 | KDM4E (0.51) | HTR6HTR2C | |
| SCHEMBL7864836 | 0.73 | KDM4E (0.46) | HTR6HTR2CBRPF1 | |
| SCHEMBL28567956 | 0.72 | OPRM1 (0.49) | HTR2CADRB2BRPF1 | |
| Aziridine SCHEMBL5185484 | 0.71 | ALDH1A1 (0.50) | — | |
| SCHEMBL7867403 | 0.71 | KIT (0.43) | HTR6HTR2C |
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 |