SCHEMBL9028560

SCHEMBL9028560

CCCCCCCCCCCC(CCCCCl)C(N)=O

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.57
CA1 P00915 1/20 0.57
ALDH1A1 P00352 1/20 0.50
TSHR P16473 1/20 0.50
GRIK1 P39086 2/20 0.47
GRIK2 Q13002 2/20 0.47
SLC1A2 P43004 1/20 0.44
SLC1A1 P43005 1/20 0.44
GPR84 Q9NQS5 7/20 0.42
FFAR1 O14842 1/20 0.42
EPHX1 P07099 1/20 0.42
MAPT P10636 1/20 0.41
LCK P06239 1/20 0.41
PPARD Q03181 1/20 0.41
ZDHHC20 Q5W0Z9 1/20 0.41
ZDHHC2 Q9UIJ5 1/20 0.41
FAAH O00519 1/20 0.41
LAP3 P28838 1/20 0.40

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.

Compoundsimilaritytop predictedshared targets
SCHEMBL27814503 0.92 CA2 (0.57) CA2CA1ALDH1A1TSHRGRIK1
SCHEMBL8566651 0.92 CA2 (0.57) CA2CA1ALDH1A1TSHRGRIK1
SCHEMBL27932196 0.92 CA2 (0.57) CA2CA1ALDH1A1TSHRGRIK1
SCHEMBL10866230 0.90 CA2 (0.68) CA2CA1GRIK1GRIK2SLC1A2
SCHEMBL80651 0.90 CA2 (0.68) CA2CA1GRIK1GRIK2SLC1A2
SCHEMBL3235440 0.90 CA2 (0.68) CA2CA1GRIK1GRIK2SLC1A2
SCHEMBL2089080 0.90 CA2 (0.68) CA2CA1GRIK1GRIK2SLC1A2
SCHEMBL20746502 0.90 CA2 (0.68) CA2CA1GRIK1GRIK2SLC1A2
SCHEMBL10866159 0.90 CA2 (0.68) CA2CA1GRIK1GRIK2SLC1A2
SCHEMBL2481659 0.90 CA2 (0.68) CA2CA1GRIK1GRIK2SLC1A2

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0277270-B1 N-alkylated quaternary nitrogen-containing heterocycles, process for their preparation and their use in pharmaceutical compositions PUETTER MEDICE CHEM PHARM (DE) 1996-12-27 EP disclosed
EP-0516194-A2 Pharmaceutical compositions containing cationic surfactants MEDICEChem.-Pharm. Fabrik Pütter GmbH & Co. KG (DE) 1992-12-02 EP disclosed
EP-0513878-A2 Pharmaceutical compositions containing cationic surfactants MEDICEChem.-Pharm. Fabrik Pütter GmbH & Co. KG (DE) 1992-11-19 EP disclosed
US-5143917-A Cationic tensides for controlling infections MEDICE CHEM.-PHARM. FABRIK PUTTER GMBH & CO. KG (DE) 1992-09-01 US disclosed
US-5133973-A Quaternary Ammonium Cationic Surfactants, Antimetabolites MEDICE CHEM.-PHARM. FABRIK PUTTER GMBH & CO. KG (DE) 1992-07-28 US disclosed
US-5118808-A Pharmaceutical preparations MEDICE CHEM.-PHARM. FABRIK PUTTER GMBH & CO. KG (DE) 1992-06-02 US disclosed
US-5112844-A Micelles MEDICE CHEM.-PHARM. FABRIK PUTTER GMBH & CO. KG (DE) 1992-05-12 US disclosed
US-5110929-A Quaternization of pyrazine compounds MEDICE CHAM.-PHARM. FABRIK PUTTER GMBH & CO. KG (DE) 1992-05-05 US disclosed
US-5057518-A Substituted n-alkylpyrimidinium salts for absorbing hydrophobic drugs MEDICE HEM.-PHARM. FABRIK PUTTER GMBH & CO. KG (DE) 1991-10-15 US disclosed
US-5051435-A Micelles of triazolium compounds as cationic surfactants MEDICE CHEM.-PHARM. FABRIK PUTTER GMBH & CO. KG (DE) 1991-09-24 US disclosed
US-4882435-A CATIONIC TENSIDES; THIADIAZOLIUM SALTS MEDICE CHEM.-PHARM. FABRIK (DE) 1989-11-21 US disclosed
US-4877883-A CATIONIC SURFACTANTS MEDICE CHEM.-PHARM. FABRIK PUTTER GMBH & CO. KG (DE) 1989-10-31 US disclosed
US-4870174-A CATIONIC SURFACTANTS, SMALL CRITICAL MICELLE CONCENTRATIONS MEDICE CHEM.-PHARM. FABRIK (DE) 1989-09-26 US disclosed
EP-0277270-A2 N-alkylated quaternary nitrogen-containing heterocycles, process for their preparation and their use in pharmaceutical compositions MEDICEChem.-Pharm. Fabrik Pütter GmbH & Co. KG (DE) 1988-08-10 EP disclosed
EP-0262344-A2 N-alkylated quaternary nitrogen-containing heterocycles, process for their preparation and their use in pharmaceutical compositions MEDICEChem.-Pharm. Fabrik Pütter GmbH & Co. KG (DE) 1988-04-06 EP disclosed
EP-0262343-A2 N-alkylated quaternary nitrogen-containing heterocycles, process for their preparation and their use in pharmaceutical compositions MEDICEChem.-Pharm. Fabrik Pütter GmbH & Co. KG (DE) 1988-04-06 EP disclosed
EP-0260428-A2 Cationic surfactants and pharmaceutical compositions containing them MEDICEChem.-Pharm. Fabrik Pütter GmbH & Co. KG (DE) 1988-03-23 EP disclosed
EP-0260429-A2 N-alkylated quaternary nitrogen-containing heterocycles, process for their preparation and their use in pharmaceutical compositions MEDICEChem.-Pharm. Fabrik Pütter GmbH & Co. KG (DE) 1988-03-23 EP disclosed
EP-0258672-A2 Cationic surfactants and pharmaceutical compositions containing them MEDICEChem.-Pharm. Fabrik Pütter GmbH & Co. KG (DE) 1988-03-09 EP disclosed
EP-0257400-A2 Pharmaceutical compositions containing cationic surfactants MEDICEChem.-Pharm. Fabrik Pütter GmbH & Co. KG (DE) 1988-03-02 EP disclosed