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 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD2 | P14416 | 1/20 | 0.54 |
| ▸ | DRD4 | P21917 | 1/20 | 0.54 |
| ▸ | DRD3 | P35462 | 1/20 | 0.54 |
| ▸ | TEAD1 | P28347 | 1/20 | 0.53 |
| ▸ | GAA | P10253 | 1/20 | 0.52 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.52 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.52 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.52 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.52 |
| ▸ | MAPT | P10636 | 1/20 | 0.52 |
| ▸ | HTT | P42858 | 1/20 | 0.52 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.52 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.52 |
| ▸ | MEN1 | O00255 | 1/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL2314934 | 0.86 | MEN1 (0.64) | DRD2DRD4DRD3SIGMAR1MEN1 | |
| SCHEMBL22265838 | 0.84 | ATM (0.58) | DRD4GAASIGMAR1HDAC8ALDH1A1 | |
| SCHEMBL2073212 | 0.84 | DRD2 (0.60) | DRD2DRD4DRD3TEAD1GAA | |
| Lithium Ion SCHEMBL22470219 | 0.83 | MEN1 (0.64) | DRD2DRD4DRD3SIGMAR1MEN1 | |
| SCHEMBL21820693 | 0.83 | TEAD1 (0.58) | DRD2DRD4DRD3TEAD1GAA | |
| SCHEMBL5368002 | 0.83 | GAA (0.69) | DRD2DRD4DRD3TEAD1GAA | |
| Lithium Ion SCHEMBL22470222 | 0.81 | KCNH2 (0.56) | MEN1KMT2A | |
| SCHEMBL16695229 | 0.78 | S1PR5 (0.65) | GAA | |
| SCHEMBL6093231 | 0.77 | KDM4E (0.77) | ALDH1A1KDM4EMAPTKMT2A | |
| SCHEMBL9561721 | 0.77 | SIGMAR1 (0.68) | DRD2DRD4DRD3SIGMAR1ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| US-7125895-B1 | Cyclic amine derivatives and their uses | BRISTOL-MYERS SQUIBB PHARMA RESEARCH LABS, INC. (US) | 2006-10-24 | — | — | US | disclosed |
| EP-1181278-B1 | CYCLIC AMINE DERIVATIVES AND THEIR USES | BRISTOL MYERS SQUIBB PHARMA RE (US) | 2004-09-29 | — | — | EP | disclosed |
| EP-1181278-A1 | CYCLIC AMINE DERIVATIVES AND THEIR USES | Combichem, Inc. (US) | 2002-02-27 | — | — | EP | disclosed |
| WO-2000069820-A1 | CYCLIC AMINE DERIVATIVES AND THEIR USES | COMBICHEM, INC. (US) | 2000-11-23 | — | — | WO | disclosed |