SCHEMBL6583715

SCHEMBL6583715

ClCc1ccccc1COc1ccc(OCc2ccc3ccccc3n2)cc1

nearest known ligand 0.68

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYSLTR1 Q9Y271 12/20 0.68
CYSLTR2 Q9NS75 8/20 0.68
GPBAR1 Q8TDU6 6/20 0.59
PDE10A Q9Y233 1/20 0.58
FFAR1 O14842 1/20 0.54
AKR1B1 P15121 1/20 0.54
ALOX5 P09917 1/20 0.52

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
SCHEMBL6087603 0.91 CYSLTR1 (0.64) CYSLTR1CYSLTR2GPBAR1PDE10A
SCHEMBL5160956 0.85 CYSLTR1 (0.74) CYSLTR1CYSLTR2GPBAR1PDE10AFFAR1
Hydrochloric Acid SCHEMBL7009696 0.84 CYSLTR1 (0.72) CYSLTR1CYSLTR2GPBAR1PDE10AFFAR1
SCHEMBL7504604 0.82 CYSLTR1 (0.58) CYSLTR1CYSLTR2GPBAR1PDE10A
SCHEMBL10690965 0.82 CYSLTR1 (0.76) CYSLTR1CYSLTR2GPBAR1PDE10AFFAR1
SCHEMBL10547998 0.81 CYSLTR1 (1.00) CYSLTR1CYSLTR2GPBAR1PDE10AFFAR1
SCHEMBL6089876 0.81 GPBAR1 (0.68) CYSLTR1CYSLTR2GPBAR1PDE10AFFAR1
Water SCHEMBL28788392 0.81 CYSLTR1 (0.73) CYSLTR1CYSLTR2GPBAR1PDE10AFFAR1
SCHEMBL6583310 0.80 CYSLTR1 (0.78) CYSLTR1CYSLTR2GPBAR1PDE10AFFAR1
SCHEMBL7454590 0.80 GPBAR1 (0.74) CYSLTR1CYSLTR2GPBAR1PDE10AFFAR1

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