SCHEMBL9054252

SCHEMBL9054252

COC(=O)CCCc1ccc(N(C(C)=O)c2ccc(OCc3ccc4ccccc4n3)cc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CYSLTR1 Q9Y271 7/20 0.61
CYSLTR2 Q9NS75 3/20 0.61
FFAR1 O14842 1/20 0.59
AKR1B1 P15121 1/20 0.59
ALOX5 P09917 2/20 0.54
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
SCHEMBL9053636 0.92 CYSLTR1 (0.54) CYSLTR1CYSLTR2
SCHEMBL9053968 0.86 ALOX5 (0.64) CYSLTR1CYSLTR2FFAR1AKR1B1ALOX5
SCHEMBL8648449 0.85 FFAR1 (0.76) CYSLTR1CYSLTR2FFAR1AKR1B1ALOX5
SCHEMBL9054244 0.82 CYSLTR1 (0.60) CYSLTR1CYSLTR2FFAR1AKR1B1ALOX5
SCHEMBL28298920 0.79 CYSLTR1 (0.79) CYSLTR1CYSLTR2FFAR1AKR1B1ALOX5
SCHEMBL9057072 0.79 CYSLTR1 (0.57) CYSLTR1CYSLTR2FFAR1AKR1B1ALOX5
SCHEMBL8712492 0.78 CYSLTR1 (0.75) CYSLTR1CYSLTR2FFAR1AKR1B1ALOX5
SCHEMBL7801457 0.78 CYSLTR1 (0.84) CYSLTR1CYSLTR2
SCHEMBL22209124 0.78 FFAR1 (0.80) CYSLTR1CYSLTR2FFAR1AKR1B1ALOX5
SCHEMBL8800199 0.78 ALOX5 (0.72) CYSLTR1CYSLTR2FFAR1AKR1B1ALOX5

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 disclosed