SCHEMBL9760912

SCHEMBL9760912

N#Cc1nc2ccc(COCc3cc(OCc4ccc5ccccc5n4)ccc3OCCC(=O)O)cc2o1

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CYSLTR1 Q9Y271 14/20 0.48
FFAR1 O14842 1/20 0.47
AKR1B1 P15121 1/20 0.47
CYSLTR2 Q9NS75 8/20 0.46
PPARG P37231 1/20 0.43
GPBAR1 Q8TDU6 1/20 0.42

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
SCHEMBL9757103 0.91 CYSLTR1 (0.49) CYSLTR1FFAR1AKR1B1CYSLTR2PPARG
SCHEMBL9757042 0.82 CYSLTR1 (0.52) CYSLTR1FFAR1AKR1B1CYSLTR2GPBAR1
SCHEMBL9636824 0.81 CYSLTR1 (0.45) CYSLTR1FFAR1AKR1B1CYSLTR2GPBAR1
SCHEMBL9760905 0.80 CYSLTR1 (0.44) CYSLTR1FFAR1AKR1B1CYSLTR2GPBAR1
SCHEMBL9760316 0.80 CYSLTR1 (0.54) CYSLTR1FFAR1AKR1B1CYSLTR2GPBAR1
SCHEMBL9757410 0.79 CYSLTR1 (0.50) CYSLTR1FFAR1AKR1B1CYSLTR2PPARG
SCHEMBL9757153 0.79 GPBAR1 (0.52) CYSLTR1CYSLTR2GPBAR1
SCHEMBL9757216 0.76 CYSLTR1 (0.38) CYSLTR1CYSLTR2
SCHEMBL9757063 0.76 CYSLTR1 (0.47) CYSLTR1CYSLTR2GPBAR1
SCHEMBL9757127 0.76 CYSLTR1 (0.46) CYSLTR1CYSLTR2PPARG

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
US-5041453-A Quinolinyl-benzoheterobicyclic derivatives as antagonists of leukotriene D4 RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1991-08-20 US disclosed