SCHEMBL8538241

SCHEMBL8538241

COC(=O)c1ccc2ccn(Cc3cccc(OCc4ccc5ccccc5n4)c3)c2c1

nearest known ligand 0.67

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CYSLTR1 Q9Y271 10/20 0.67
GPBAR1 Q8TDU6 2/20 0.53
ALOX5 P09917 1/20 0.53
CYSLTR2 Q9NS75 7/20 0.51
ALOX5AP P20292 1/20 0.49

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
SCHEMBL8616407 0.94 CYSLTR1 (0.66) CYSLTR1GPBAR1ALOX5CYSLTR2ALOX5AP
SCHEMBL8543705 0.91 CYSLTR1 (0.61) CYSLTR1GPBAR1ALOX5CYSLTR2ALOX5AP
SCHEMBL8538426 0.91 CYSLTR1 (0.65) CYSLTR1GPBAR1ALOX5CYSLTR2
SCHEMBL9199864 0.85 CYSLTR1 (0.60) CYSLTR1GPBAR1CYSLTR2ALOX5AP
SCHEMBL8540124 0.85 CYSLTR1 (0.60) CYSLTR1GPBAR1ALOX5CYSLTR2ALOX5AP
SCHEMBL8617516 0.84 CYSLTR1 (0.64) CYSLTR1GPBAR1ALOX5CYSLTR2
SCHEMBL9827537 0.84 CYSLTR1 (0.83) CYSLTR1GPBAR1ALOX5CYSLTR2
SCHEMBL9130463 0.81 CYSLTR1 (1.00) CYSLTR1GPBAR1CYSLTR2ALOX5AP
SCHEMBL9199593 0.81 CYSLTR1 (0.56) CYSLTR1GPBAR1ALOX5CYSLTR2ALOX5AP
SCHEMBL8538239 0.81 GPBAR1 (0.67) CYSLTR1GPBAR1ALOX5CYSLTR2

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