SCHEMBL1695790

SCHEMBL1695790

CCN(CC)CCNC(=O)C(=Cc1ccc(Cl)cc1)c1ccc(OCc2ccc3ccccc3n2)cc1

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ GPBAR1 Q8TDU6 1/20 0.49
▸ PDE10A Q9Y233 7/20 0.48
▸ CYSLTR2 Q9NS75 8/20 0.46
▸ CYSLTR1 Q9Y271 8/20 0.46
▸ ALOX5 P09917 2/20 0.45
▸ ALOX5AP P20292 1/20 0.44

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
SCHEMBL1695789 1.00 GPBAR1 (0.49) GPBAR1PDE10ACYSLTR2CYSLTR1ALOX5
SCHEMBL7704493 0.91 PDE10A (0.52) GPBAR1PDE10ACYSLTR2CYSLTR1ALOX5
SCHEMBL7710008 0.89 GPBAR1 (0.52) GPBAR1PDE10ACYSLTR2CYSLTR1ALOX5
SCHEMBL1695735 0.89 GPBAR1 (0.52) GPBAR1PDE10ACYSLTR2CYSLTR1ALOX5
SCHEMBL1695472 0.89 GPBAR1 (0.53) GPBAR1PDE10ACYSLTR2CYSLTR1ALOX5
SCHEMBL1695934 0.89 GPBAR1 (0.53) GPBAR1PDE10ACYSLTR2CYSLTR1ALOX5
SCHEMBL1695797 0.87 GPBAR1 (0.50) GPBAR1PDE10ACYSLTR2CYSLTR1ALOX5
SCHEMBL1695793 0.87 GPBAR1 (0.50) GPBAR1PDE10ACYSLTR2CYSLTR1ALOX5
SCHEMBL1695821 0.87 GPBAR1 (0.55) GPBAR1PDE10ACYSLTR2CYSLTR1ALOX5
SCHEMBL1695825 0.87 GPBAR1 (0.55) GPBAR1PDE10ACYSLTR2CYSLTR1ALOX5

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 claimed
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