SCHEMBL9746283

SCHEMBL9746283

Clc1ccc2ccc(COc3c[c]ccc3)nc2c1

nearest known ligand 0.48

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CYSLTR1 Q9Y271 7/20 0.48
CYSLTR2 Q9NS75 3/20 0.48
PDE10A Q9Y233 3/20 0.42
GPBAR1 Q8TDU6 6/20 0.42
ALOX5AP P20292 1/20 0.41

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
SCHEMBL8632598 0.83 CYSLTR1 (0.49) CYSLTR1CYSLTR2PDE10AGPBAR1ALOX5AP
SCHEMBL9844652 0.83 CYSLTR1 (0.69) CYSLTR1CYSLTR2PDE10AGPBAR1
SCHEMBL8632478 0.83 CYSLTR1 (0.45) CYSLTR1CYSLTR2PDE10AGPBAR1ALOX5AP
SCHEMBL8180239 0.77 CYSLTR1 (0.51) CYSLTR1CYSLTR2PDE10AGPBAR1
SCHEMBL8131833 0.76 CYSLTR1 (0.57) CYSLTR1CYSLTR2GPBAR1
SCHEMBL8325040 0.75 CYSLTR1 (0.74) CYSLTR1CYSLTR2GPBAR1
SCHEMBL9121080 0.75 CYSLTR1 (0.56) CYSLTR1CYSLTR2GPBAR1
SCHEMBL9051963 0.74 CYSLTR1 (0.52) CYSLTR1CYSLTR2GPBAR1
SCHEMBL8878133 0.74 CYSLTR1 (0.51) CYSLTR1CYSLTR2PDE10AGPBAR1ALOX5AP
SCHEMBL22534449 0.73 NR4A2 (0.53)

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-5104882-A Leukotriene antagonists MERCK FROSST CANADA, INC. (CA) 1992-04-14 US disclosed