SCHEMBL7706340

SCHEMBL7706340

N=COC(=N)/C(=C/c1ccc(Cl)cc1)c1cccc(OCc2ccc3ccccc3n2)c1

nearest known ligand 0.53

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ CYSLTR1 Q9Y271 10/20 0.53
▸ GPBAR1 Q8TDU6 6/20 0.53
▸ CYSLTR2 Q9NS75 6/20 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
SCHEMBL7712708 0.90 GPBAR1 (0.50) CYSLTR1GPBAR1CYSLTR2
SCHEMBL7704262 0.80 GPBAR1 (0.50) CYSLTR1GPBAR1CYSLTR2
SCHEMBL7712828 0.78 PDE10A (0.48) CYSLTR1GPBAR1CYSLTR2
SCHEMBL7710762 0.74 NPC1 (0.34) CYSLTR1GPBAR1CYSLTR2
SCHEMBL7705628 0.74 GPBAR1 (0.49) CYSLTR1GPBAR1CYSLTR2
SCHEMBL7703187 0.74 GPBAR1 (0.63) CYSLTR1GPBAR1CYSLTR2
SCHEMBL1695576 0.74 GPBAR1 (0.63) CYSLTR1GPBAR1CYSLTR2
SCHEMBL1695577 0.74 GPBAR1 (0.63) CYSLTR1GPBAR1CYSLTR2
SCHEMBL7707067 0.73 GPBAR1 (0.53) CYSLTR1GPBAR1CYSLTR2
SCHEMBL1695698 0.73 GPBAR1 (0.58) CYSLTR1GPBAR1CYSLTR2

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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