SCHEMBL6585906

SCHEMBL6585906

N#Cc1ccccc1COc1ccc(OCc2ccc3ccccc3n2)cc1

nearest known ligand 0.62

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYSLTR1 Q9Y271 9/20 0.62
CYSLTR2 Q9NS75 7/20 0.62
GPBAR1 Q8TDU6 4/20 0.55
PDE10A Q9Y233 1/20 0.54
FFAR1 O14842 2/20 0.51
AKR1B1 P15121 1/20 0.51
ALOX5AP P20292 1/20 0.50
ALOX5 P09917 1/20 0.49
PLAU P00749 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
SCHEMBL6088309 0.91 CYSLTR1 (0.60) CYSLTR1CYSLTR2GPBAR1PDE10AALOX5AP
SCHEMBL10607508 0.85 CYSLTR1 (0.71) CYSLTR1CYSLTR2GPBAR1PDE10AFFAR1
SCHEMBL10420993 0.81 RAB9A (0.52) CYSLTR1CYSLTR2FFAR1PLAU
SCHEMBL10663836 0.81 CYSLTR1 (0.56) CYSLTR1CYSLTR2GPBAR1PDE10AFFAR1
SCHEMBL7808312 0.80 CYSLTR1 (0.64) CYSLTR1CYSLTR2GPBAR1PDE10AFFAR1
SCHEMBL1423710 0.80 CYSLTR1 (0.56) CYSLTR1CYSLTR2GPBAR1PDE10AALOX5AP
SCHEMBL9757452 0.80 CYSLTR1 (0.53) CYSLTR1CYSLTR2GPBAR1PDE10AFFAR1
SCHEMBL6583715 0.80 CYSLTR1 (0.68) CYSLTR1CYSLTR2GPBAR1PDE10AFFAR1
SCHEMBL9828564 0.79 CYSLTR1 (0.65) CYSLTR1CYSLTR2GPBAR1PDE10AFFAR1
SCHEMBL5613168 0.79 MAOB (0.54) FFAR1ALOX5PLAU

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-0784052-B1 Quinoline derivatives as antagonists of leukotriene d4, compositions containing the same and processes for their preparation AVENTIS HOLDINGS INC (US) 2004-09-01 EP disclosed
EP-0348155-B1 Quinoline derivatives as antagonists of leukotriene D4, compositions containing the same and processes for their preparation RHONE POULENC RORER INT (US) 1999-05-12 EP disclosed
EP-0784052-A1 Quinoline derivatives as antagonists of leukotriene d4, compositions containing the same and processes for their preparation RHONE-POULENC RORER INTERNATIONAL (HOLDINGS) INC. (US) 1997-07-16 EP disclosed
US-4920131-A Quinoline derivatives and use thereof as antagonists of leukotriene D4 RORER PHARMACEUTICAL CORP. (US) 1990-04-24 US disclosed
WO-1989012628-A1 QUINOLINE DERIVATIVES AS ANTAGONISTS OF LEUKOTRIENE D4 RORER INTERNATIONAL (OVERSEAS) INC. (US) 1989-12-28 WO disclosed
EP-0348155-A1 Quinoline derivatives as antagonists of leukotriene D4, compositions containing the same and processes for their preparation RHONE-POULENC RORER INTERNATIONAL (HOLDINGS) INC. (US) 1989-12-27 EP disclosed