SCHEMBL7707627

SCHEMBL7707627

CNC(=O)/C(=C/c1cccs1)c1ccc(OCc2ccc3ccccc3n2)cc1

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ GPBAR1 Q8TDU6 2/20 0.54
▸ PDE10A Q9Y233 7/20 0.50
▸ ALOX5 P09917 2/20 0.48
▸ CYSLTR1 Q9Y271 7/20 0.47
▸ CYSLTR2 Q9NS75 4/20 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
SCHEMBL1695768 0.86 GPBAR1 (0.49) GPBAR1PDE10AALOX5CYSLTR1CYSLTR2
SCHEMBL1695766 0.86 GPBAR1 (0.49) GPBAR1PDE10AALOX5CYSLTR1CYSLTR2
SCHEMBL1695638 0.85 GPBAR1 (0.63) GPBAR1PDE10AALOX5CYSLTR1CYSLTR2
SCHEMBL1695748 0.85 PDE10A (0.59) GPBAR1PDE10AALOX5CYSLTR1CYSLTR2
SCHEMBL1695750 0.85 PDE10A (0.59) GPBAR1PDE10AALOX5CYSLTR1CYSLTR2
SCHEMBL1695655 0.83 GPBAR1 (0.56) GPBAR1PDE10AALOX5CYSLTR1CYSLTR2
SCHEMBL1695659 0.83 GPBAR1 (0.56) GPBAR1PDE10AALOX5CYSLTR1CYSLTR2
SCHEMBL1695906 0.82 GPBAR1 (0.55) GPBAR1PDE10AALOX5CYSLTR1CYSLTR2
SCHEMBL1695821 0.82 GPBAR1 (0.55) GPBAR1PDE10AALOX5CYSLTR1CYSLTR2
SCHEMBL1695825 0.82 GPBAR1 (0.55) GPBAR1PDE10AALOX5CYSLTR1CYSLTR2

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-2011138657-A1 ARYL SUBSTITUTED OLEFINIC COMPOUNDS AS PDE10A INHIBITORS GLENMARK PHARMACEUTICALS S.A. (CH) 2011-11-10 — — WO disclosed
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