SCHEMBL9757064

SCHEMBL9757064

O=C(O)c1nc2c(OCc3ccc(OCc4ccc5ccccc5n4)cc3)c(Cl)ccc2o1

nearest known ligand 0.57

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 2/20 0.53
FFAR1 O14842 1/20 0.52
AKR1B1 P15121 1/20 0.52
ALOX5 P09917 3/20 0.49
CYSLTR1 Q9Y271 10/20 0.49
CYSLTR2 Q9NS75 7/20 0.49
ALOX5AP P20292 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
SCHEMBL9757066 0.87 CYSLTR1 (0.46) GPBAR1FFAR1AKR1B1ALOX5CYSLTR1
SCHEMBL9756961 0.83 FFAR1 (0.48) GPBAR1FFAR1AKR1B1ALOX5CYSLTR1
SCHEMBL9757212 0.80 GPBAR1 (0.60) GPBAR1FFAR1AKR1B1ALOX5CYSLTR1
SCHEMBL7718896 0.76 GPBAR1 (0.90) GPBAR1FFAR1AKR1B1ALOX5CYSLTR1
SCHEMBL7457682 0.76 GPBAR1 (0.90) GPBAR1FFAR1AKR1B1ALOX5CYSLTR1
SCHEMBL9757272 0.76 CYSLTR1 (0.60) GPBAR1ALOX5CYSLTR1CYSLTR2
SCHEMBL9635483 0.74 CYSLTR1 (0.45) GPBAR1FFAR1AKR1B1ALOX5CYSLTR1
SCHEMBL10544473 0.74 CYSLTR1 (0.84) GPBAR1FFAR1AKR1B1ALOX5CYSLTR1
SCHEMBL6088569 0.73 FFAR1 (0.73) GPBAR1FFAR1AKR1B1ALOX5CYSLTR1
SCHEMBL26771305 0.73 GPBAR1 (0.83) GPBAR1FFAR1AKR1B1ALOX5CYSLTR1

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-1991019475-A2 QUINOLINYL-BENZOHETEROBICYCLIC DERIVATIVES AS ANTAGONISTS OF LEUKOTRIENE D¿4? RHONE-POULENC RORER INTERNATIONAL (HOLDINGS) INC. (US) 1991-12-26 WO disclosed