SCHEMBL1695774

SCHEMBL1695774

N#CCCNC(=O)C(=Cc1ccccc1)c1ccc(OCc2ccc3ccccc3n2)cc1

nearest known ligand 0.56

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ GPBAR1 Q8TDU6 3/20 0.56
▸ CYSLTR1 Q9Y271 10/20 0.49
▸ PDE10A Q9Y233 3/20 0.49
▸ CYSLTR2 Q9NS75 7/20 0.48
▸ FFAR1 O14842 1/20 0.48
▸ AKR1B1 P15121 1/20 0.48

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
SCHEMBL7702169 1.00 GPBAR1 (0.56) GPBAR1CYSLTR1PDE10ACYSLTR2FFAR1
SCHEMBL1695423 0.94 PDE10A (0.52) GPBAR1CYSLTR1PDE10ACYSLTR2FFAR1
SCHEMBL1695421 0.94 PDE10A (0.52) GPBAR1CYSLTR1PDE10ACYSLTR2FFAR1
SCHEMBL1695414 0.93 GPBAR1 (0.50) GPBAR1CYSLTR1PDE10ACYSLTR2
SCHEMBL1695710 0.93 GPBAR1 (0.50) GPBAR1CYSLTR1PDE10ACYSLTR2
SCHEMBL1695711 0.93 GPBAR1 (0.50) GPBAR1CYSLTR1PDE10ACYSLTR2
SCHEMBL1695758 0.93 GPBAR1 (0.50) GPBAR1CYSLTR1PDE10ACYSLTR2
SCHEMBL1695566 0.93 GPBAR1 (0.50) GPBAR1CYSLTR1PDE10ACYSLTR2
SCHEMBL1695564 0.93 GPBAR1 (0.50) GPBAR1CYSLTR1PDE10ACYSLTR2
SCHEMBL1695417 0.93 GPBAR1 (0.50) GPBAR1CYSLTR1PDE10ACYSLTR2

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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