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 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR2 | P41597 | 4/20 | 0.54 |
| ▸ | KCNA3 | P22001 | 2/20 | 0.51 |
| ▸ | OPRL1 | P41146 | 2/20 | 0.48 |
| ▸ | CCR5 | P51681 | 6/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL8572588 | 0.99 | CCR2 (0.53) | CCR2KCNA3OPRL1CCR5ALDH1A1 | |
| SCHEMBL6765593 | 0.87 | CCR2 (0.57) | CCR2KCNA3OPRL1CCR5ALDH1A1 | |
| SCHEMBL8572593 | 0.86 | CCR2 (0.56) | CCR2KCNA3OPRL1CCR5ALDH1A1 | |
| SCHEMBL6775700 | 0.81 | LMNA (0.54) | CCR2KCNA3OPRL1CCR5ALDH1A1 | |
| SCHEMBL6770020 | 0.77 | KMT2A (0.58) | CCR2KCNA3ALDH1A1 | |
| Prozapine SCHEMBL25765 | 0.77 | ALDH1A1 (0.66) | CCR2KCNA3OPRL1ALDH1A1CYP2D6 | |
| Fenpiprane SCHEMBL24507 | 0.77 | ALDH1A1 (0.66) | CCR2KCNA3OPRL1ALDH1A1CYP2D6 | |
| Prozapine SCHEMBL365642 | 0.75 | ALDH1A1 (0.64) | CCR2KCNA3OPRL1ALDH1A1CYP2D6 | |
| Fenpiprane SCHEMBL11585426 | 0.75 | ALDH1A1 (0.64) | CCR2KCNA3OPRL1ALDH1A1CYP2D6 | |
| SCHEMBL6770148 | 0.75 | CCR2 (0.81) | CCR2KCNA3OPRL1ALDH1A1CYP2D6 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-1997044329-A9 | DIARYLALKYL CYCLIC DIAMINE DERIVATIVES AS CHEMOKINE RECEPTOR ANTAGONISTS | — | 1998-03-12 | — | — | WO | disclosed |