SCHEMBL7516606

SCHEMBL7516606

COc1cc(OCc2ccc(OCc3nnn[nH]3)cc2)ccc1OCc1ccc2ccccc2n1

nearest known ligand 0.66

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CYSLTR1 Q9Y271 3/20 0.48
CYSLTR2 Q9NS75 2/20 0.48

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
SCHEMBL7512295 0.95 CYSLTR1 (0.48) CYSLTR1CYSLTR2
SCHEMBL9818413 0.92 CYSLTR1 (0.49) CYSLTR1CYSLTR2
SCHEMBL7520309 0.92 CYSLTR1 (0.50) CYSLTR1CYSLTR2
SCHEMBL7717000 0.90 CYSLTR1 (0.55) CYSLTR1CYSLTR2
SCHEMBL10534084 0.90 CYSLTR2 (0.47) CYSLTR1CYSLTR2
SCHEMBL7518817 0.90 CYSLTR1 (0.57) CYSLTR1CYSLTR2
SCHEMBL7551982 0.90 CYSLTR1 (0.57) CYSLTR1CYSLTR2
SCHEMBL7516263 0.89 CYSLTR1 (0.51) CYSLTR1CYSLTR2
SCHEMBL7715810 0.88 CYSLTR1 (0.60) CYSLTR1CYSLTR2
SCHEMBL7513912 0.88 CYSLTR1 (0.50) CYSLTR1CYSLTR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1030665-A4 THERAPEUTIC USES OF QUINOLINE DERIVATIVES AVENTIS PHARM PROD INC (US) 2002-11-27 EP disclosed
US-6376512-B1 FOR TREATING PHYSIOLOGICAL CONDITION IN PATIENT WHEREIN SAID CONDITION IS ASSOCIATED WITH A PHYSIOLOGICALLY DETRIMENTAL LEVELS OF INSULIN, GLUCOSE, FREE FATTY ACIDS, OR TRIGLYCERIDES AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2002-04-23 US disclosed
EP-1030665-A1 THERAPEUTIC USES OF QUINOLINE DERIVATIVES Aventis Pharmaceuticals Products Inc. (US) 2000-08-30 EP disclosed
WO-1999020275-A1 THERAPEUTIC USES OF QUINOLINE DERIVATIVES AVENTIS PHARMACEUTICALS PRODUCTS INC. (US) 1999-04-29 WO disclosed
US-5059610-A QUINOLINE DERIVATIVES AND THEIR USE AS ANTAGONISTS OF LEUKOTRIENE D4 RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1991-10-22 US disclosed
US-4920132-A Quinoline derivatives and use thereof as antagonists of leukotriene D4 RORER PHARMACEUTICAL CORP. (US) 1990-04-24 US disclosed