SCHEMBL8098339

SCHEMBL8098339

[CH2]c1ccc(OCc2ccc3ccccc3n2)cc1

nearest known ligand 0.76

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYSLTR1 Q9Y271 10/20 0.76
CYSLTR2 Q9NS75 6/20 0.76
GPBAR1 Q8TDU6 7/20 0.65
PDE10A Q9Y233 2/20 0.64
FFAR1 O14842 1/20 0.59
AKR1B1 P15121 1/20 0.59
ALOX5 P09917 1/20 0.56

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
SCHEMBL8736552 0.87 PDE10A (0.64) CYSLTR1CYSLTR2GPBAR1PDE10A
SCHEMBL10547998 0.86 CYSLTR1 (1.00) CYSLTR1CYSLTR2GPBAR1PDE10AFFAR1
SCHEMBL6583310 0.85 CYSLTR1 (0.78) CYSLTR1CYSLTR2GPBAR1PDE10AFFAR1
SCHEMBL1694951 0.84 CYSLTR1 (0.76) CYSLTR1CYSLTR2GPBAR1PDE10AFFAR1
SCHEMBL10547699 0.84 CYSLTR1 (0.76) CYSLTR1CYSLTR2GPBAR1PDE10AFFAR1
SCHEMBL10547475 0.84 CYSLTR1 (0.76) CYSLTR1CYSLTR2GPBAR1PDE10AFFAR1
SCHEMBL4159309 0.84 CYSLTR1 (0.76) CYSLTR1CYSLTR2GPBAR1PDE10AFFAR1
SCHEMBL7715797 0.84 CYSLTR1 (0.76) CYSLTR1CYSLTR2GPBAR1PDE10AFFAR1
SCHEMBL10690965 0.84 CYSLTR1 (0.76) CYSLTR1CYSLTR2GPBAR1PDE10AFFAR1
SCHEMBL10543657 0.84 CYSLTR1 (0.87) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6121286-A ANTILEUKOTRIENE ACTIVITY AND ANTIHISTAMINIC ACTIVITY, FOR TREATING ASTHMA; COMPOUNDS SUCH AS 6-METHOXY-3-(2-(3-(2-QUINOLYLMETHOXY)BENZYL)TETRAZOLYL)QUINOLIN-2-ONE KOWA CO., LTD. (JP) 2000-09-19 US disclosed
US-6117886-A EXCELLENT ANTILEUKOTRIENE ACTIVITY AND ANTIHISTAMINIC ACTIVITY, AND IS USEFUL FOR THE PREVENTION AND TREATMENT OF, FOR EXAMPLE, ASTHMA. KOWA CO., LTD. (JP) 2000-09-12 US disclosed