SCHEMBL8893761

SCHEMBL8893761

O=C(O)C=NOC1CCC(c2ccc(OCc3ccc4ccccc4n3)cc2)(c2ccc(OCc3ccc4ccccc4n3)cc2)CC1

nearest known ligand 0.59

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 13/20 0.59
GPBAR1 Q8TDU6 1/20 0.51
ALOX5AP P20292 4/20 0.50
CYSLTR2 Q9NS75 2/20 0.49
CYSLTR1 Q9Y271 2/20 0.49
HDAC6 Q9UBN7 1/20 0.49

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
SCHEMBL8922918 0.90 ALOX5 (0.57) ALOX5GPBAR1ALOX5APCYSLTR2CYSLTR1
SCHEMBL8892196 0.89 CYSLTR2 (0.50) ALOX5GPBAR1ALOX5APCYSLTR2CYSLTR1
SCHEMBL8922598 0.88 ALOX5 (0.46) ALOX5ALOX5APCYSLTR2CYSLTR1
SCHEMBL8922287 0.82 CYSLTR2 (0.64) ALOX5GPBAR1ALOX5APCYSLTR2CYSLTR1
SCHEMBL8925370 0.81 CYSLTR2 (0.63) ALOX5GPBAR1ALOX5APCYSLTR2CYSLTR1
SCHEMBL8922290 0.81 ALOX5AP (0.53) ALOX5GPBAR1ALOX5APCYSLTR2CYSLTR1
SCHEMBL8925365 0.81 ALOX5AP (0.53) ALOX5GPBAR1ALOX5APCYSLTR2CYSLTR1
SCHEMBL8908571 0.80 ALOX5AP (0.56) ALOX5GPBAR1ALOX5APCYSLTR2CYSLTR1
SCHEMBL8922323 0.80 ALOX5AP (0.58) ALOX5GPBAR1ALOX5APCYSLTR2CYSLTR1
SCHEMBL8920223 0.79 CYSLTR2 (0.62) ALOX5GPBAR1ALOX5APCYSLTR2CYSLTR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1997029090-A1 BIS-(HETEROARYLMETHOXYPHENYL)CYCLOALKYL DERIVATIVES, THEIR PREPARATION AND THEIR USE AS INHIBITORS OF LEUKOTRIENE BIOSYTHESIS ABBOTT LABORATORIES (US) 1997-08-14 WO claimed
US-5691351-A Bis-(Heteroarylmethoxyphenyl)cycloalkyl carboxylates as inhibitors of leukotriene biosynthesis ABBOTT LABORATORIES (US) 1997-11-25 US disclosed