SCHEMBL9407556

SCHEMBL9407556

CC(C)(C)OC(=O)N(CCNC(=O)c1cccc(OCc2ccc3ccccc3n2)c1)c1ccccc1

nearest known ligand 0.66

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CYSLTR1 Q9Y271 3/20 0.57
▸ GPBAR1 Q8TDU6 2/20 0.57
▸ PDE10A Q9Y233 2/20 0.48
▸ ALOX5AP P20292 1/20 0.47
▸ CYSLTR2 Q9NS75 1/20 0.47
▸ ALOX5 P09917 1/20 0.47

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
SCHEMBL9407547 0.91 PDE10A (0.57) CYSLTR1GPBAR1PDE10AALOX5APCYSLTR2
SCHEMBL9407541 0.82 ALOX5 (0.55) CYSLTR1GPBAR1PDE10ACYSLTR2ALOX5
SCHEMBL9407537 0.80 CYSLTR1 (0.54) CYSLTR1GPBAR1PDE10ACYSLTR2
Hydrochloric Acid SCHEMBL9407516 0.80 CYSLTR1 (0.53) CYSLTR1GPBAR1PDE10ACYSLTR2
Iodide SCHEMBL9407549 0.80 CYSLTR1 (0.53) CYSLTR1GPBAR1PDE10ACYSLTR2
SCHEMBL9407580 0.78 CYSLTR1 (0.69) CYSLTR1GPBAR1CYSLTR2
SCHEMBL12046916 0.75 CYSLTR1 (0.77) CYSLTR1GPBAR1CYSLTR2
SCHEMBL30444017 0.75 CYSLTR1 (1.00) CYSLTR1GPBAR1CYSLTR2
SCHEMBL422355 0.75 CYSLTR1 (1.00) CYSLTR1GPBAR1CYSLTR2
Hydrochloric Acid SCHEMBL7006935 0.74 CYSLTR1 (0.97) CYSLTR1GPBAR1CYSLTR2

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-0610943-A1 Pyridinium derivatives useful as PAF antagonists J. URIACH & CIA. S.A. (ES) 1994-08-17 — — EP disclosed
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