SCHEMBL8801178

SCHEMBL8801178

Cc1ccc(OC(=O)c2ccc(OCc3ccc4ccccc4n3)cc2)c2c1NC(=O)CC2

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 1/20 0.51
PDE10A Q9Y233 5/20 0.47
ALOX5 P09917 2/20 0.46
FFAR1 O14842 1/20 0.46
AKR1B1 P15121 1/20 0.46
CYSLTR1 Q9Y271 9/20 0.45
CYSLTR2 Q9NS75 7/20 0.45

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
SCHEMBL8801970 0.91 CYSLTR1 (0.58) GPBAR1ALOX5CYSLTR1CYSLTR2
SCHEMBL8800823 0.87 CYSLTR1 (0.48) GPBAR1PDE10AALOX5FFAR1AKR1B1
SCHEMBL8800538 0.80 CYSLTR1 (0.51) GPBAR1ALOX5CYSLTR1CYSLTR2
SCHEMBL8801341 0.78 GPBAR1 (0.54) GPBAR1PDE10AFFAR1AKR1B1CYSLTR1
SCHEMBL8800859 0.78 GPBAR1 (0.53) GPBAR1PDE10AFFAR1AKR1B1CYSLTR1
SCHEMBL8801213 0.76 GPBAR1 (0.53) GPBAR1PDE10AALOX5FFAR1AKR1B1
SCHEMBL8801249 0.75 GPBAR1 (0.46) GPBAR1PDE10AALOX5FFAR1AKR1B1
SCHEMBL14021543 0.73 GPBAR1 (0.70) GPBAR1PDE10AALOX5FFAR1AKR1B1
SCHEMBL8800294 0.73 GPBAR1 (0.53) GPBAR1PDE10AFFAR1AKR1B1CYSLTR1
SCHEMBL3271439 0.73 CYSLTR1 (0.76) GPBAR1PDE10AALOX5FFAR1AKR1B1

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
EP-0799826-A1 Heteroaryl substituted phenylene derivatives, their preparation and their use as leukotriene receptor antagonists KOWA CO. LTD. (JP) 1997-10-08 EP disclosed