SCHEMBL8003087

SCHEMBL8003087

O=C1OC2(CC2)C(OS(=O)(=O)C(F)(F)F)=C1c1ccc(CCc2ccc3ccccc3n2)cc1

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYSLTR1 Q9Y271 5/20 0.35
CYSLTR2 Q9NS75 4/20 0.35
ALOX5 P09917 1/20 0.35
FFAR1 O14842 1/20 0.34
AKR1B1 P15121 1/20 0.34
PDE10A Q9Y233 7/20 0.32
GRM5 P41594 1/20 0.32
ALOX5AP P20292 1/20 0.30

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
SCHEMBL1420100 0.86 CYSLTR1 (0.46) CYSLTR1CYSLTR2FFAR1AKR1B1PDE10A
SCHEMBL7998599 0.75 PDE10A (0.42) CYSLTR1CYSLTR2ALOX5FFAR1AKR1B1
SCHEMBL1419811 0.74 CYSLTR2 (0.46) CYSLTR1CYSLTR2FFAR1AKR1B1PDE10A
SCHEMBL6995017 0.74 PTGS2 (0.32)
SCHEMBL1420116 0.67 PDE10A (0.47) CYSLTR1CYSLTR2PDE10A
SCHEMBL12169148 0.65 PDE10A (0.52) CYSLTR1CYSLTR2ALOX5PDE10AALOX5AP
SCHEMBL1419880 0.65 GPBAR1 (0.52) CYSLTR1CYSLTR2ALOX5FFAR1AKR1B1
SCHEMBL3950944 0.65 KCNH2 (0.61) CYSLTR1CYSLTR2FFAR1AKR1B1PDE10A
SCHEMBL1557935 0.64 PTGS1 (0.53) FFAR1AKR1B1PDE10A
SCHEMBL8007284 0.62 FFAR1 (0.38) CYSLTR1CYSLTR2ALOX5FFAR1AKR1B1

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
WO-2009158393-A1 1, 2 DISUBSTITUTED HETEROCYCLIC COMPOUNDS ENVIVO PHARMACEUTICALS, INC. (US) 2009-12-30 WO disclosed