SCHEMBL9756970

SCHEMBL9756970

COC(=O)Cc1nc2ccc(COc3ccc(OCc4ccc5ccccc5n4)cc3)cc2o1

nearest known ligand 0.54

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 3/20 0.54
CYSLTR1 Q9Y271 5/20 0.51
FFAR1 O14842 1/20 0.51
AKR1B1 P15121 1/20 0.51
GPBAR1 Q8TDU6 1/20 0.49
CYSLTR2 Q9NS75 3/20 0.48

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
SCHEMBL9756971 0.93 ALOX5 (0.45) ALOX5CYSLTR1
SCHEMBL9757069 0.89 ALOX5 (0.53) ALOX5CYSLTR1FFAR1AKR1B1GPBAR1
SCHEMBL8800199 0.82 ALOX5 (0.72) ALOX5CYSLTR1FFAR1AKR1B1GPBAR1
SCHEMBL9635515 0.82 CYSLTR1 (0.51) ALOX5CYSLTR1FFAR1AKR1B1GPBAR1
SCHEMBL9757212 0.81 GPBAR1 (0.60) ALOX5CYSLTR1FFAR1AKR1B1GPBAR1
SCHEMBL9757100 0.81 CYSLTR1 (0.52) ALOX5CYSLTR1FFAR1AKR1B1GPBAR1
SCHEMBL7808132 0.80 ALOX5 (0.63) ALOX5CYSLTR1FFAR1AKR1B1
SCHEMBL9757095 0.79 CYSLTR1 (0.55) ALOX5CYSLTR1FFAR1AKR1B1GPBAR1
SCHEMBL8648449 0.76 FFAR1 (0.76) ALOX5CYSLTR1FFAR1AKR1B1GPBAR1
SCHEMBL9760316 0.76 CYSLTR1 (0.54) ALOX5CYSLTR1FFAR1AKR1B1GPBAR1

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-1991019475-A2 QUINOLINYL-BENZOHETEROBICYCLIC DERIVATIVES AS ANTAGONISTS OF LEUKOTRIENE D¿4? RHONE-POULENC RORER INTERNATIONAL (HOLDINGS) INC. (US) 1991-12-26 WO disclosed
US-5041453-A Quinolinyl-benzoheterobicyclic derivatives as antagonists of leukotriene D4 RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1991-08-20 US disclosed