SCHEMBL7457682

SCHEMBL7457682

O=C(O)c1ccc(COc2ccc(OCc3ccc4ccccc4n3)cc2)cc1

nearest known ligand 0.90

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 3/20 0.90
CYSLTR1 Q9Y271 9/20 0.76
FFAR1 O14842 1/20 0.70
AKR1B1 P15121 1/20 0.70
CYSLTR2 Q9NS75 3/20 0.65
ALOX5 P09917 2/20 0.65
PDE10A Q9Y233 1/20 0.64

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
SCHEMBL7718896 1.00 GPBAR1 (0.90) GPBAR1CYSLTR1FFAR1AKR1B1CYSLTR2
SCHEMBL26771305 0.96 GPBAR1 (0.83) GPBAR1CYSLTR1FFAR1AKR1B1CYSLTR2
SCHEMBL421067 0.95 GPBAR1 (1.00) GPBAR1CYSLTR1FFAR1AKR1B1CYSLTR2
SCHEMBL9581634 0.93 GPBAR1 (0.97) GPBAR1CYSLTR1FFAR1AKR1B1CYSLTR2
SCHEMBL9581618 0.93 GPBAR1 (0.97) GPBAR1CYSLTR1FFAR1AKR1B1CYSLTR2
SCHEMBL7010155 0.91 CYSLTR1 (0.80) GPBAR1CYSLTR1CYSLTR2
SCHEMBL26632676 0.91 GPBAR1 (0.92) GPBAR1CYSLTR1FFAR1AKR1B1CYSLTR2
SCHEMBL7715799 0.90 CYSLTR1 (0.86) GPBAR1CYSLTR1FFAR1AKR1B1CYSLTR2
SCHEMBL7711072 0.89 GPBAR1 (0.80) GPBAR1CYSLTR1CYSLTR2ALOX5
SCHEMBL10544473 0.88 CYSLTR1 (0.84) GPBAR1CYSLTR1FFAR1AKR1B1CYSLTR2

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.

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
WO-1989004305-A1 QUINOLINE DERIVATIVES AS ANTAGONISTS OF LEUKOTRIENE D4 RORER INTERNATIONAL (OVERSEAS) INC. (US) 1989-05-18 WO disclosed