SCHEMBL7702502

SCHEMBL7702502

NNC(=O)/C(=C/c1cccnc1)c1ccc(OCc2ccc3ccccc3n2)cc1

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ GPBAR1 Q8TDU6 1/20 0.53
▸ PDE10A Q9Y233 10/20 0.49
▸ CYSLTR1 Q9Y271 7/20 0.46
▸ CYSLTR2 Q9NS75 6/20 0.46
▸ FFAR1 O14842 1/20 0.45
▸ AKR1B1 P15121 1/20 0.45

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
SCHEMBL1695799 0.91 GPBAR1 (0.53) GPBAR1PDE10ACYSLTR1CYSLTR2FFAR1
SCHEMBL7710581 0.90 GPBAR1 (0.63) GPBAR1PDE10ACYSLTR1CYSLTR2FFAR1
SCHEMBL1695887 0.89 GPBAR1 (0.49) GPBAR1PDE10ACYSLTR1CYSLTR2FFAR1
SCHEMBL1695884 0.89 GPBAR1 (0.49) GPBAR1PDE10ACYSLTR1CYSLTR2FFAR1
SCHEMBL7708302 0.85 GPBAR1 (0.55) GPBAR1PDE10ACYSLTR1CYSLTR2FFAR1
SCHEMBL7708803 0.85 GPBAR1 (0.55) GPBAR1PDE10ACYSLTR1CYSLTR2FFAR1
SCHEMBL7706312 0.84 GPBAR1 (0.53) GPBAR1PDE10ACYSLTR1CYSLTR2
SCHEMBL7710576 0.84 GPBAR1 (0.54) GPBAR1PDE10ACYSLTR1CYSLTR2FFAR1
SCHEMBL7707781 0.83 GPBAR1 (0.53) GPBAR1PDE10ACYSLTR1CYSLTR2FFAR1
SCHEMBL1695938 0.83 GPBAR1 (0.53) GPBAR1PDE10ACYSLTR1CYSLTR2FFAR1

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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