SCHEMBL8645015

SCHEMBL8645015

Clc1ccc(CCC[CH]c2ccc(OCc3ccc4ccccc4n3)cc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYSLTR1 Q9Y271 10/20 0.57
CYSLTR2 Q9NS75 7/20 0.57
ALOX5AP P20292 2/20 0.56
ALOX5 P09917 2/20 0.56
FFAR1 O14842 1/20 0.55
AKR1B1 P15121 1/20 0.55
PDE10A Q9Y233 2/20 0.51
GPBAR1 Q8TDU6 1/20 0.47

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
SCHEMBL10446557 0.91 CYSLTR1 (0.61) CYSLTR1CYSLTR2ALOX5APFFAR1AKR1B1
SCHEMBL8645017 0.89 CYSLTR1 (0.70) CYSLTR1CYSLTR2ALOX5APALOX5FFAR1
SCHEMBL10446851 0.84 CYSLTR1 (0.63) CYSLTR1CYSLTR2ALOX5APALOX5FFAR1
SCHEMBL10690965 0.82 CYSLTR1 (0.76) CYSLTR1CYSLTR2ALOX5APALOX5FFAR1
SCHEMBL10446852 0.80 CYSLTR1 (0.75) CYSLTR1CYSLTR2ALOX5APALOX5FFAR1
SCHEMBL10446560 0.80 CYSLTR1 (0.79) CYSLTR1CYSLTR2ALOX5APALOX5FFAR1
SCHEMBL8799848 0.80 ALOX5 (0.70) CYSLTR1CYSLTR2ALOX5APALOX5FFAR1
SCHEMBL8965285 0.79 ALOX5 (0.65) CYSLTR1CYSLTR2ALOX5APALOX5FFAR1
SCHEMBL9431845 0.79 FFAR1 (0.58) CYSLTR1CYSLTR2ALOX5APALOX5FFAR1
SCHEMBL9431839 0.79 FFAR1 (0.58) CYSLTR1CYSLTR2ALOX5APALOX5FFAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0666849-A4 ARYL AND HETEROARYLMETHOXYPHENYL INHIBITORS OF LEUKOTRIENE BIOSYNTHESIS. ABBOTT LAB (US) 1995-12-13 EP claimed
EP-0666849-A1 ARYL AND HETEROARYLMETHOXYPHENYL INHIBITORS OF LEUKOTRIENE BIOSYNTHESIS ABBOTT LABORATORIES (US) 1995-08-16 EP claimed
WO-1994010148-A1 ARYL AND HETEROARYLMETHOXYPHENYL INHIBITORS OF LEUKOTRIENE BIOSYNTHESIS ABBOTT LABORATORIES (US) 1994-05-11 WO claimed
US-5783586-A Heteroarylmethoxyphenylthioalkyl carboxylates as inhibitors of leukotriene biosynthesis ABBOTT LABORATORIES (US) 1998-07-21 US disclosed