SCHEMBL7708049

SCHEMBL7708049

O=C(NCCO)/C(=C/c1ccncc1)c1ccc(OCc2ccc3ccccc3n2)cc1

nearest known ligand 0.55

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ PDE10A Q9Y233 7/20 0.55
▸ GPBAR1 Q8TDU6 1/20 0.54
▸ CYSLTR1 Q9Y271 7/20 0.48
▸ CYSLTR2 Q9NS75 5/20 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
SCHEMBL1695934 0.90 GPBAR1 (0.53) PDE10AGPBAR1CYSLTR1CYSLTR2FFAR1
SCHEMBL1695472 0.90 GPBAR1 (0.53) PDE10AGPBAR1CYSLTR1CYSLTR2FFAR1
SCHEMBL1695421 0.89 PDE10A (0.52) PDE10AGPBAR1CYSLTR1CYSLTR2FFAR1
SCHEMBL1695423 0.89 PDE10A (0.52) PDE10AGPBAR1CYSLTR1CYSLTR2FFAR1
SCHEMBL1695748 0.89 PDE10A (0.59) PDE10AGPBAR1CYSLTR1CYSLTR2FFAR1
SCHEMBL1695750 0.89 PDE10A (0.59) PDE10AGPBAR1CYSLTR1CYSLTR2FFAR1
SCHEMBL7705433 0.88 PDE10A (0.52) PDE10AGPBAR1CYSLTR1CYSLTR2FFAR1
SCHEMBL1695852 0.86 PDE10A (0.56) PDE10AGPBAR1CYSLTR1CYSLTR2
SCHEMBL7703739 0.86 PDE10A (0.56) PDE10AGPBAR1CYSLTR1CYSLTR2
SCHEMBL1695725 0.85 PDE10A (0.53) PDE10AGPBAR1CYSLTR1CYSLTR2FFAR1

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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