SCHEMBL9054564

SCHEMBL9054564

CCCCc1ccc(NC(=O)Cc2ccc(OCc3ccc4ccccc4n3)cc2)cc1

nearest known ligand 0.81

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYSLTR1 Q9Y271 7/20 0.60
CYSLTR2 Q9NS75 1/20 0.60
ALOX5 P09917 1/20 0.59
FFAR1 O14842 1/20 0.58
AKR1B1 P15121 1/20 0.58
ADRB1 P08588 1/20 0.56
ADRB3 P13945 1/20 0.56

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
SCHEMBL9057805 0.91 CYSLTR1 (0.59) CYSLTR1CYSLTR2ALOX5
SCHEMBL9054244 0.90 CYSLTR1 (0.60) CYSLTR1CYSLTR2ALOX5FFAR1AKR1B1
SCHEMBL29587847 0.85 CYSLTR1 (0.68) CYSLTR1CYSLTR2ALOX5FFAR1AKR1B1
SCHEMBL9057183 0.84 CYSLTR1 (0.53) CYSLTR1CYSLTR2ALOX5FFAR1AKR1B1
SCHEMBL9719811 0.83 GPBAR1 (0.62) CYSLTR1CYSLTR2ALOX5FFAR1AKR1B1
SCHEMBL9053620 0.81 CYSLTR1 (0.59) CYSLTR1CYSLTR2ALOX5
Ammonia Solution, Strong SCHEMBL9585183 0.81 CYSLTR1 (0.69) CYSLTR1CYSLTR2ALOX5FFAR1AKR1B1
SCHEMBL9057089 0.79 CYSLTR1 (0.53) CYSLTR1CYSLTR2ALOX5FFAR1AKR1B1
SCHEMBL7008427 0.79 GPBAR1 (0.64) CYSLTR1CYSLTR2ALOX5FFAR1AKR1B1
SCHEMBL8800199 0.78 ALOX5 (0.72) CYSLTR1CYSLTR2ALOX5FFAR1AKR1B1

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