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.
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 | |
|---|---|---|---|---|
| SCHEMBL4388188 | 0.93 | — | — | |
| SCHEMBL5613580 | 0.62 | — | — | |
| SCHEMBL732371 | 0.60 | — | — | |
| Hydrochloric Acid SCHEMBL28538535 | 0.59 | — | — | |
| SCHEMBL6809726 | 0.59 | — | — | |
| SCHEMBL6105256 | 0.59 | — | — | |
| SCHEMBL5603799 | 0.57 | — | — | |
| Hydrochloric Acid SCHEMBL9510007 | 0.57 | — | — | |
| Methoxymethane SCHEMBL28287621 | 0.55 | — | — | |
| Lithium Ion SCHEMBL16685143 | 0.51 | — | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20030162766-A1 | Aminomethylene substituted non-aromatic heterocycles and use as substance P antagonists | PFIZER INC. | 2003-08-28 | — | — | US | disclosed |
| US-6369074-B1 | Aminomethylene substituted non-aromatic heterocycles and use as substance P antagonists | PFIZER INC. | 2002-04-09 | — | — | US | disclosed |
| US-20010023248-A1 | Aminomethylene substituted non-aromatic heterocycles and use as substance P antagonists | HOWARD HARRY R (US) | 2001-09-20 | — | — | US | disclosed |
| US-5854262-A | Aminomethylene substituted non-aromatic heterocycles and use as substance P antagonists | PFIZER INC. (US) | 1998-12-29 | — | — | US | disclosed |
| EP-0806423-A1 | Aminomethylene substituted non-aromatic heterocycles and use as substance p antagonists | PFIZER INC. (US) | 1997-11-12 | — | — | EP | disclosed |
| EP-0675886-A1 | AMINOMETHYLENE SUBSTITUTED NON-AROMATIC HETEROCYCLES AND USE AS SUBSTANCE P ANTAGONISTS | PFIZER INC. (US) | 1995-10-11 | — | — | EP | disclosed |
| WO-1994013663-A1 | AMINOMETHYLENE SUBSTITUTED NON-AROMATIC HETEROCYCLES AND USE AS SUBSTANCE P ANTAGONISTS | PFIZER INC. (US) | 1994-06-23 | — | — | WO | disclosed |