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SCHEMBL9058159

SCHEMBL9058159

CN(C(=O)Cc1ccc(OCc2ccc3ccccc3n2)cc1)c1ccc(CCCC(=O)O)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CYSLTR1 Q9Y271 9/20 0.71
▸ CYSLTR2 Q9NS75 6/20 0.71
▸ ALOX5 P09917 2/20 0.67
▸ FFAR1 O14842 1/20 0.66
▸ AKR1B1 P15121 1/20 0.66
▸ PDE10A Q9Y233 4/20 0.62

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
SCHEMBL9053968 0.91 ALOX5 (0.64) CYSLTR1CYSLTR2ALOX5FFAR1AKR1B1
SCHEMBL8646512 0.84 CYSLTR1 (1.00) CYSLTR1CYSLTR2FFAR1AKR1B1
SCHEMBL7813788 0.83 CYSLTR1 (0.70) CYSLTR1CYSLTR2FFAR1AKR1B1PDE10A
SCHEMBL10692490 0.81 ALOX5 (1.00) CYSLTR1CYSLTR2ALOX5FFAR1AKR1B1
SCHEMBL8649544 0.80 FFAR1 (0.97) CYSLTR1CYSLTR2ALOX5FFAR1AKR1B1
SCHEMBL1419872 0.78 FFAR1 (0.77) CYSLTR1CYSLTR2ALOX5FFAR1AKR1B1
SCHEMBL8712492 0.78 CYSLTR1 (0.75) CYSLTR1CYSLTR2ALOX5FFAR1AKR1B1
SCHEMBL10545819 0.77 CYSLTR1 (1.00) CYSLTR1CYSLTR2FFAR1AKR1B1
SCHEMBL9054252 0.77 CYSLTR1 (0.61) CYSLTR1CYSLTR2ALOX5FFAR1AKR1B1
SCHEMBL8712313 0.77 CYSLTR1 (0.73) CYSLTR1CYSLTR2FFAR1AKR1B1

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
WO-1996004246-A1 PHENYLACETAMIDES HAVING LEUKOTRIENE-ANTAGONISTIC ACTION LABORATORIOS MENARINI S.A. (ES) 1996-02-15 — — WO claimed