SCHEMBL7516263

SCHEMBL7516263

COc1ccc(OCc2cccc(OCc3nnn[nH]3)c2)cc1OCc1ccc2ccccc2n1

nearest known ligand 0.62

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CYSLTR1 Q9Y271 2/20 0.51
GPBAR1 Q8TDU6 1/20 0.51
CYSLTR2 Q9NS75 1/20 0.49
ALOX5 P09917 1/20 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
SCHEMBL10534084 0.91 CYSLTR2 (0.47) CYSLTR1CYSLTR2
SCHEMBL7514327 0.90 CYSLTR1 (0.52) CYSLTR1GPBAR1CYSLTR2ALOX5
SCHEMBL7520309 0.90 CYSLTR1 (0.50) CYSLTR1GPBAR1CYSLTR2
SCHEMBL7717069 0.90 CYSLTR1 (0.57) CYSLTR1GPBAR1CYSLTR2
SCHEMBL7008285 0.90 CYSLTR1 (0.60) CYSLTR1GPBAR1CYSLTR2
SCHEMBL7516606 0.89 CYSLTR1 (0.48) CYSLTR1CYSLTR2
SCHEMBL7004658 0.89 CYSLTR1 (0.61) CYSLTR1GPBAR1CYSLTR2
SCHEMBL7512295 0.88 CYSLTR1 (0.48) CYSLTR1CYSLTR2
SCHEMBL7716725 0.88 CYSLTR1 (0.49) CYSLTR1GPBAR1CYSLTR2
SCHEMBL6090364 0.87 CYSLTR1 (0.50) CYSLTR1GPBAR1CYSLTR2

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 5 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
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