SCHEMBL9565378

SCHEMBL9565378

c1cc(Cn2ccc3cc(-n4cnnn4)ccc32)cc(OCc2ccc3ccccc3n2)c1

nearest known ligand 0.58

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 6/20 0.50
CYSLTR1 Q9Y271 5/20 0.50
CYSLTR2 Q9NS75 2/20 0.44
ALOX5 P09917 1/20 0.44
CYP1A2 P05177 1/20 0.43
PDE10A Q9Y233 1/20 0.43

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
SCHEMBL9199593 0.82 CYSLTR1 (0.56) GPBAR1CYSLTR1CYSLTR2ALOX5PDE10A
SCHEMBL8617516 0.82 CYSLTR1 (0.64) GPBAR1CYSLTR1CYSLTR2ALOX5
SCHEMBL8588067 0.80 CYSLTR1 (0.53) GPBAR1CYSLTR1CYSLTR2ALOX5
SCHEMBL8616407 0.79 CYSLTR1 (0.66) GPBAR1CYSLTR1CYSLTR2ALOX5
SCHEMBL8305692 0.78 CYSLTR1 (0.48) GPBAR1CYSLTR1CYSLTR2ALOX5
SCHEMBL8538426 0.77 CYSLTR1 (0.65) GPBAR1CYSLTR1CYSLTR2ALOX5
SCHEMBL9202041 0.75 ALOX5AP (0.55) GPBAR1CYSLTR1CYSLTR2ALOX5CYP1A2
SCHEMBL9205037 0.75 ALOX5AP (0.55) GPBAR1CYSLTR1CYSLTR2CYP1A2PDE10A
SCHEMBL8538241 0.74 CYSLTR1 (0.67) GPBAR1CYSLTR1CYSLTR2ALOX5
SCHEMBL9203135 0.73 CYSLTR1 (0.65) GPBAR1CYSLTR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0539117-A1 Compounds useful as leukotriene antagonists LILLY INDUSTRIES LIMITED (GB) 1993-04-28 EP disclosed