SCHEMBL8539274

SCHEMBL8539274

O=C(O)c1ccc2[nH]cc(Cc3ccc(OCc4ccc5ccccc5n4)cc3)c2c1

nearest known ligand 0.63

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 3/20 0.63
CYSLTR1 Q9Y271 8/20 0.56
FFAR1 O14842 1/20 0.53
AKR1B1 P15121 1/20 0.53
ALOX5 P09917 1/20 0.51
CYSLTR2 Q9NS75 2/20 0.51
PDE10A Q9Y233 1/20 0.50

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
SCHEMBL9530636 0.95 GPBAR1 (0.62) GPBAR1CYSLTR1ALOX5
SCHEMBL8544696 0.93 GPBAR1 (0.63) GPBAR1CYSLTR1FFAR1AKR1B1ALOX5
SCHEMBL8543455 0.83 CYSLTR1 (0.61) GPBAR1CYSLTR1ALOX5CYSLTR2
SCHEMBL8540828 0.81 GPBAR1 (0.54) GPBAR1CYSLTR1FFAR1AKR1B1ALOX5
SCHEMBL9529112 0.80 FFAR1 (0.62) GPBAR1CYSLTR1FFAR1AKR1B1CYSLTR2
SCHEMBL7457682 0.79 GPBAR1 (0.90) GPBAR1CYSLTR1FFAR1AKR1B1ALOX5
SCHEMBL7718896 0.79 GPBAR1 (0.90) GPBAR1CYSLTR1FFAR1AKR1B1ALOX5
SCHEMBL421067 0.79 GPBAR1 (1.00) GPBAR1CYSLTR1FFAR1AKR1B1CYSLTR2
SCHEMBL9828160 0.79 CYSLTR1 (0.72) GPBAR1CYSLTR1FFAR1AKR1B1ALOX5
SCHEMBL9209634 0.79 CYSLTR1 (0.59) GPBAR1CYSLTR1FFAR1AKR1B1ALOX5

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