SCHEMBL8544181

SCHEMBL8544181

COC(=O)c1ccc2c(Cc3ccc(OCc4ccc5ccccc5n4)cc3)cn(C)c2c1

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYSLTR1 Q9Y271 6/20 0.57
CYSLTR2 Q9NS75 2/20 0.51
GPBAR1 Q8TDU6 1/20 0.50
ALOX5 P09917 2/20 0.48
FFAR1 O14842 1/20 0.47
AKR1B1 P15121 1/20 0.47
PDE10A Q9Y233 1/20 0.46
ALOX5AP P20292 3/20 0.46

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
SCHEMBL8544411 0.92 GPBAR1 (0.61) CYSLTR1GPBAR1ALOX5FFAR1AKR1B1
SCHEMBL8545793 0.90 CYSLTR1 (0.54) CYSLTR1CYSLTR2GPBAR1ALOX5FFAR1
SCHEMBL8539216 0.82 GPBAR1 (0.57) CYSLTR1CYSLTR2GPBAR1ALOX5FFAR1
SCHEMBL9828760 0.80 CYSLTR1 (0.74) CYSLTR1CYSLTR2GPBAR1ALOX5FFAR1
SCHEMBL912699 0.79 IDH1 (0.45)
SCHEMBL8542225 0.79 GPBAR1 (0.39) CYSLTR1CYSLTR2GPBAR1ALOX5FFAR1
SCHEMBL3271439 0.79 CYSLTR1 (0.76) CYSLTR1CYSLTR2GPBAR1ALOX5FFAR1
SCHEMBL8543705 0.79 CYSLTR1 (0.61) CYSLTR1CYSLTR2GPBAR1ALOX5FFAR1
SCHEMBL8540638 0.78 ALOX5 (0.50) CYSLTR1CYSLTR2GPBAR1ALOX5FFAR1
SCHEMBL26771304 0.76 CYSLTR1 (0.65) CYSLTR1CYSLTR2GPBAR1ALOX5FFAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0539117-B1 Compounds useful as leukotriene antagonists LILLY CO ELI (GB) 1998-03-11 EP disclosed
US-5410061-A Leukotriene antagonist LILLY INDUSTRIES LIMITED (GB) 1995-04-25 US disclosed
EP-0539117-A1 Compounds useful as leukotriene antagonists LILLY INDUSTRIES LIMITED (GB) 1993-04-28 EP disclosed