SCHEMBL8801320

SCHEMBL8801320

CC1(C)C(=O)Nc2cc(OC(=O)c3ccc(OCc4ccc5ccccc5n4)cc3)ccc21

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 3/20 0.54
PDE10A Q9Y233 5/20 0.50
CYSLTR1 Q9Y271 5/20 0.49
ALOX5AP P20292 4/20 0.48
ALOX5 P09917 1/20 0.47
CYSLTR2 Q9NS75 2/20 0.47
FFAR1 O14842 1/20 0.46
AKR1B1 P15121 1/20 0.46

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
SCHEMBL8801200 0.94 GPBAR1 (0.53) GPBAR1PDE10ACYSLTR1ALOX5APALOX5
SCHEMBL8801851 0.92 CYSLTR1 (0.62) GPBAR1CYSLTR1ALOX5APALOX5CYSLTR2
SCHEMBL8800305 0.86 CYSLTR1 (0.52) GPBAR1PDE10ACYSLTR1ALOX5CYSLTR2
SCHEMBL8802429 0.85 CYSLTR1 (0.61) GPBAR1CYSLTR1ALOX5APALOX5CYSLTR2
SCHEMBL8801213 0.84 GPBAR1 (0.53) GPBAR1PDE10ACYSLTR1ALOX5APALOX5
SCHEMBL8802132 0.83 GPBAR1 (0.55) GPBAR1CYSLTR1ALOX5CYSLTR2
SCHEMBL8801341 0.81 GPBAR1 (0.54) GPBAR1PDE10ACYSLTR1ALOX5APCYSLTR2
SCHEMBL8800859 0.79 GPBAR1 (0.53) GPBAR1PDE10ACYSLTR1ALOX5APCYSLTR2
SCHEMBL8137925 0.79 MAOB (0.56) GPBAR1PDE10ACYSLTR1ALOX5APALOX5
SCHEMBL8800294 0.78 GPBAR1 (0.53) GPBAR1PDE10ACYSLTR1CYSLTR2FFAR1

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