SCHEMBL6582909

SCHEMBL6582909

Oc1ccccc1OCc1ccc2ccccc2n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYSLTR1 Q9Y271 6/20 0.61
CYSLTR2 Q9NS75 2/20 0.61
GPBAR1 Q8TDU6 6/20 0.55
PDE10A Q9Y233 1/20 0.52
MAPT P10636 1/20 0.52
HPGD P15428 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
HSD17B10 Q99714 1/20 0.52
FFAR1 O14842 1/20 0.49
AKR1B1 P15121 1/20 0.49
ALOX5AP P20292 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
SCHEMBL9818429 0.87 CYSLTR1 (0.54) CYSLTR1CYSLTR2GPBAR1PDE10A
SCHEMBL7452392 0.87 CYSLTR1 (0.54) CYSLTR1CYSLTR2GPBAR1
SCHEMBL9081199 0.81 CYSLTR1 (0.61) CYSLTR1CYSLTR2GPBAR1PDE10AFFAR1
SCHEMBL9363352 0.81 CYSLTR1 (0.61) CYSLTR1CYSLTR2GPBAR1PDE10A
SCHEMBL10662425 0.81 CYSLTR1 (0.61) CYSLTR1CYSLTR2GPBAR1PDE10A
SCHEMBL10689480 0.81 CYSLTR1 (0.61) CYSLTR1CYSLTR2GPBAR1PDE10A
SCHEMBL9843295 0.81 CYSLTR1 (0.61) CYSLTR1CYSLTR2GPBAR1PDE10AFFAR1
SCHEMBL1004347 0.81 CYSLTR1 (0.61) CYSLTR1CYSLTR2GPBAR1PDE10A
SCHEMBL10683765 0.81 CYSLTR1 (0.61) CYSLTR1CYSLTR2GPBAR1PDE10A
SCHEMBL8834234 0.80 GPBAR1 (0.57) CYSLTR1CYSLTR2GPBAR1MAPTHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4563526-A PROSTAGLANDIN-SYNTHETASE INHIBITORS FORSYTH DENTAL INFIRMARY FOR CHILDREN (US) 1986-01-07 US claimed
US-RE31624-E INHIBITORS OF PROSTAGLANDIN SYNTHESIS FORSYTH DENTAL INFIRMARY FOR CHILDREN (US) 1984-07-03 US claimed
US-4244956-A PROSTAGLANDIN SYNTHESIS INHIBITORS FORSYTH DENTAL INFIRMARY FOR CHILDREN (US) 1981-01-13 US claimed
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
US-4642347-A ANTIALLERGENS AMERICAN HOME PRODUCTS CORPORATION (US) 1987-02-10 US disclosed