SCHEMBL8539273

SCHEMBL8539273

O=C(O)c1ccc2c(ccn2Cc2ccc(OCc3ccc4ccccc4n3)cc2)c1

nearest known ligand 0.86

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 3/20 0.65
CYSLTR1 Q9Y271 7/20 0.58
FFAR1 O14842 1/20 0.55
AKR1B1 P15121 1/20 0.55
ALOX5 P09917 1/20 0.53
CYSLTR2 Q9NS75 1/20 0.53
ALOX5AP P20292 1/20 0.52
PDE10A Q9Y233 1/20 0.52

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
SCHEMBL9203135 0.95 CYSLTR1 (0.65) GPBAR1CYSLTR1
SCHEMBL8538239 0.93 GPBAR1 (0.67) GPBAR1CYSLTR1FFAR1AKR1B1ALOX5
SCHEMBL8540124 0.91 CYSLTR1 (0.60) GPBAR1CYSLTR1FFAR1AKR1B1ALOX5
SCHEMBL8617516 0.90 CYSLTR1 (0.64) GPBAR1CYSLTR1ALOX5CYSLTR2
SCHEMBL9199864 0.87 CYSLTR1 (0.60) GPBAR1CYSLTR1CYSLTR2ALOX5AP
SCHEMBL8543705 0.84 CYSLTR1 (0.61) GPBAR1CYSLTR1FFAR1AKR1B1ALOX5
SCHEMBL9202041 0.84 ALOX5AP (0.55) GPBAR1CYSLTR1ALOX5CYSLTR2ALOX5AP
SCHEMBL8538426 0.83 CYSLTR1 (0.65) GPBAR1CYSLTR1ALOX5CYSLTR2
SCHEMBL8538620 0.83 HDAC6 (0.56) CYSLTR1CYSLTR2ALOX5AP
SCHEMBL8616407 0.82 CYSLTR1 (0.66) GPBAR1CYSLTR1ALOX5CYSLTR2ALOX5AP

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