SCHEMBL5170477

SCHEMBL5170477

Cc1cc(C)c(CCl)c(-c2ccc(F)c(C)c2)c1

nearest known ligand 0.49

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 2/20 0.41
PTGS1 P23219 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
SCHEMBL11131311 0.84 PTGS2 (0.41) PTGS2PTGS1
SCHEMBL5171324 0.84 PTGS2 (0.44) PTGS2PTGS1
SCHEMBL9602188 0.84 PTGS2 (0.43) PTGS2PTGS1
SCHEMBL11120600 0.81 PTGS2 (0.42) PTGS2PTGS1
SCHEMBL11123145 0.81 PTGS2 (0.39) PTGS2PTGS1
SCHEMBL11121594 0.81 PTGS2 (0.39) PTGS2PTGS1
SCHEMBL9441503 0.80 PTGS2 (0.38) PTGS2PTGS1
SCHEMBL9745891 0.80 PTGS2 (0.41) PTGS2PTGS1
SCHEMBL11120507 0.80 PTGS2 (0.38) PTGS2PTGS1
SCHEMBL11123204 0.79 PTGS2 (0.40) PTGS2PTGS1

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0948335-B1 METHODS OF TREATING OR PREVENTING CARDIAC ARRHYTHMIA MERCK & CO INC (US) 2007-05-23 EP disclosed
EP-0946183-B1 USE OF PYRIDAZINONE OR PHOSPHINE OXIDE COMPOUNDS TO TREAT OR PREVENT CARDIAC ARRHYTHMIA MERCK & CO INC (US) 2007-05-02 EP disclosed
EP-0948335-A4 METHODS OF TREATING OR PREVENTING CARDIAC ARRHYTHMIA MERCK & CO INC (US) 2001-08-22 EP disclosed
EP-0946183-A4 METHODS OF TREATING OR PREVENTING CARDIAC ARRHYTHMIA MERCK & CO INC (US) 2001-07-18 EP disclosed
US-6214810-B1 ANTIARRHYTHMIA AGENTS MERCK & CO., INC. 2001-04-10 US disclosed
US-6214809-B1 ANTIARRTHYMIA AGENTS MERCK & CO., INC. 2001-04-10 US disclosed
US-5969017-A ANTIARRHYMIA AGENTS USING PHOSPHINE OXIDES MERCK & CO., INC. (US) 1999-10-19 US disclosed
EP-0948335-A1 METHODS OF TREATING OR PREVENTING CARDIAC ARRHYTHMIA Merck & Co., Inc. (US) 1999-10-13 EP disclosed
EP-0946183-A1 METHODS OF TREATING OR PREVENTING CARDIAC ARRHYTHMIA Merck & Co., Inc. (US) 1999-10-06 EP disclosed
US-5935945-A ADMINISTERING PHOSPHINE OXIDE COMPOUND WHICH BLOCKS RAPIDLY ACTIVATING DELAYED RECTIFIER POTASSIUM ION CURRENT OF THE ATRIUM MERCK & CO., INC. (US) 1999-08-10 US disclosed
WO-1998018476-A1 METHODS OF TREATING OR PREVENTING CARDIAC ARRHYTHMIA MERCK & CO., INC. (US) 1998-05-07 WO disclosed
WO-1998018475-A1 METHODS OF TREATING OR PREVENTING CARDIAC ARRHYTHMIA MERCK & CO., INC. (US) 1998-05-07 WO disclosed
US-5276021-A Anticholesterol or antilipemic agents E. R. SQUIBB & SONS, INC. (US) 1994-01-04 US disclosed
EP-0142146-B1 OXO-ANALOGS OF MEVINOLIN-LIKE ANTIHYPERCHOLESTEROLEMIC AGENTS MERCK & CO. INC. (US) 1988-08-31 EP disclosed
US-4683314-A ANTICHOLESTEROL MERCK & CO., INC. (US) 1987-07-28 US disclosed
US-4540796-A PREPARATION OF 4-HYDROXY-3,4,5,6-TETRAHYDRO-2H-PYRAN-2-ONE DERIVATIVE MERCK & CO., INC. (US) 1985-09-10 US disclosed
EP-0142146-A2 Oxo-analogs of mevinolin-like antihypercholesterolemic agents MERCK & CO. INC. (US) 1985-05-22 EP disclosed
US-4440927-A Process for preparing inhibitors of 3-hydroxy-3-methylglutaryl coenzyme A reductase via a chiral synthon MERCK & CO., INC. (US) 1984-04-03 US disclosed