Known targets — ChEMBL curated mechanism
ABCC8ACEADORA1ADORA2AADORA2BADORA3ALDH5A1ALOX5ALOX5APATP4AATP4BBRAFCA1CA12CA2CA4CYSLTR1DHFRDPEP1EDNRAEDNRBESR2F10FDPSFGF1GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTGNRHRGSC1HMGCRIMPDH1IMPDH2KCNJ11LY96NOD2NR3C1NS3NS4ANS5bP2RY1P2RY12P2RY2P2RY4P2RY6PBP2XPDE3APDE3BPDE4APDE4BPDE4CPDE4DPDK1PDK2PDK3PDK4PPARGPPATPTGIRPTGS1PTGS2RAF1RYR1RYR3SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASERPINC1SLC12A1SLC12A3SYKTHRATHRBTLR3TLR4TLR9TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYMSVKORC1XDHblablaIMP-1blaOXA-33blaOXA-58blaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAfolPfolP1ftsIfusAgaggyrAgyrBmecAmrcAmrcBmrdApbp1apbp1bpbp2pbp2apbp2bpbp3pbp4pbpApbpBpbpCpbpFpolponBrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpoArpoBrpoCrpoZrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
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 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GABRA1 known ✓ | P14867 | 1/20 | 0.37 |
| ▸ | GABRB2 known ✓ | P47870 | 1/20 | 0.37 |
| ▸ | THRB known ✓ | P10828 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | RIPK1 | Q13546 | 3/20 | 0.31 |
| ▸ | HTT | P42858 | 2/20 | 0.31 |
| ▸ | NPC1 | O15118 | 2/20 | 0.31 |
| ▸ | RAB9A | P51151 | 2/20 | 0.31 |
| ▸ | POLQ | O75417 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.30 |
| ▸ | NOX1 | Q9Y5S8 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| Tetrabuthylammonium SCHEMBL8610796 | 0.76 | HTT (0.37) | HTTTHRB | |
| SCHEMBL2964988 | 0.75 | GABRA1 (0.45) | GABRA1GABRB2ALDH1A1MAPTRIPK1 | |
| Potassium Ion SCHEMBL21269619 | 0.74 | CYP2C19 (0.41) | ALDH1A1MAPTHTTMEN1KMT2A | |
| SCHEMBL6558804 | 0.73 | GABRA1 (0.39) | GABRA1GABRB2ALDH1A1MAPTRIPK1 | |
| SCHEMBL21269980 | 0.72 | CYP2C19 (0.42) | ALDH1A1MAPTHTTMEN1KMT2A | |
| Potassium Ion SCHEMBL21268798 | 0.72 | CYP2C19 (0.42) | ALDH1A1MAPTHTTMEN1KMT2A | |
| Lithium Ion SCHEMBL21269143 | 0.70 | CYP2C19 (0.41) | ALDH1A1MAPTHTTMEN1KMT2A | |
| Potassium Ion SCHEMBL21269243 | 0.70 | CYP2C19 (0.41) | ALDH1A1MAPTHTTMEN1KMT2A | |
| SCHEMBL8979073 | 0.70 | PIN1 (0.46) | GABRA1GABRB2ALDH1A1KDM4EMEN1 | |
| SCHEMBL10522348 | 0.70 | GABRA1 (0.46) | GABRA1GABRB2ALDH1A1MAPTPOLQ |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0034647-B1 | 4-ARYLOXY-3-PHENYLPIPERIDINE DERIVATIVES, INTERMEDIATES, A PROCESS FOR THE PREPARATION OF SUCH COMPOUNDS AND THEIR USE AS MEDICAMENTS | HOECHST AKTIENGESELLSCHAFT (DE) | 1985-06-05 | — | — | EP | disclosed |
| US-4424357-A | Process for preparing 4-aryloxy-3-phenylpiperidines | HOECHST-ROUSSEL PHARMACEUTICALS, INC. (US) | 1984-01-03 | — | — | US | disclosed |
| EP-0014997-B1 | 4-ARYLOXY- AND 4-ARYLTHIO-3-PHENYLPIPERIDINE DERIVATIVES, A PROCESS FOR THE PREPARATION OF SUCH COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | HOECHST AKTIENGESELLSCHAFT (DE) | 1983-07-20 | — | — | EP | disclosed |
| US-4382141-A | ANTIDEPRESSANTS, ANALGESICS | HOECHST-ROUSSEL PHARMACEUTICALS, INC. (US) | 1983-05-03 | — | — | US | disclosed |
| US-4312876-A | CENTRAL NERVOUS SYSTEM | HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) | 1982-01-26 | — | — | US | disclosed |
| US-4302590-A | THE 4-HYDROXY DERIVATIVE; ANALGESICS, ANTIDEPRESSANTS | HOECHST-ROUSSEL PHARMACEUTICALS, INC. (US) | 1981-11-24 | — | — | US | disclosed |
| EP-0034647-A2 | 4-Aryloxy-3-phenylpiperidine derivatives, intermediates, a process for the preparation of such compounds and their use as medicaments | HOECHST AKTIENGESELLSCHAFT (DE) | 1981-09-02 | — | — | EP | disclosed |
| EP-0014997-A1 | 4-Aryloxy- and 4-arylthio-3-phenylpiperidine derivatives, a process for the preparation of such compounds and pharmaceutical compositions containing them | HOECHST AKTIENGESELLSCHAFT (DE) | 1980-09-03 | — | — | EP | disclosed |
| US-4216218-A | Antidepressant and analgesic 4-aryloxy- and 4-arylthio-3-phenylpiperidines | AMERICAN HOECHST CORPORATION (US) | 1980-08-05 | — | — | US | disclosed |