SCHEMBL8555063

SCHEMBL8555063

CN1OC1(C(=O)Oc1ccc(OCc2ccc3ccc(Cl)cc3n2)cc1)c1ccc(OCc2ccc3ccc(Cl)cc3n2)cc1

nearest known ligand 0.44

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CYSLTR1 Q9Y271 3/20 0.42
CYSLTR2 Q9NS75 2/20 0.42
ALOX5AP P20292 8/20 0.40
ALOX5 P09917 2/20 0.40
GPBAR1 Q8TDU6 1/20 0.39

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
SCHEMBL8834199 0.87 GPBAR1 (0.55) CYSLTR1CYSLTR2ALOX5APALOX5GPBAR1
SCHEMBL8834730 0.83 PDE10A (0.48) CYSLTR1CYSLTR2ALOX5APALOX5GPBAR1
SCHEMBL8557729 0.79 PDE10A (0.43) CYSLTR1CYSLTR2ALOX5APALOX5GPBAR1
SCHEMBL8922390 0.76 ALOX5AP (0.41) CYSLTR1CYSLTR2ALOX5AP
SCHEMBL8835183 0.76 PARP10 (0.50) ALOX5APALOX5
SCHEMBL8560309 0.75 KCNH2 (0.39) GPBAR1
SCHEMBL8559981 0.74 PARP10 (0.39)
SCHEMBL8557960 0.73 GRM5 (0.41) ALOX5APALOX5
SCHEMBL9054127 0.72 FFAR1 (0.55) CYSLTR1CYSLTR2ALOX5APALOX5GPBAR1
SCHEMBL8559028 0.71 PDE10A (0.45) ALOX5APALOX5

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-5714488-A FOR TREATMENT OF ALLERGIC AND INFLAMMATORY DISEASE STATES ABBOTT LABORATORIES (US) 1998-02-03 US disclosed