SCHEMBL22684760

SCHEMBL22684760

Nc1cc(C(F)(F)F)cnc1-c1ccc(C2(NC(=O)c3ccc(Cl)cc3)COC2)cc1

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
WDR91 A4D1P6 10/20 0.53
PDE2A O00408 3/20 0.43
MALT1 Q9UDY8 1/20 0.43
STAT3 P40763 1/20 0.42
STAT1 P42224 1/20 0.42
PTGS1 P23219 2/20 0.40
TRPV1 Q8NER1 1/20 0.39
BACE1 P56817 2/20 0.38

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
SCHEMBL22684763 0.92 PDE2A (0.44) WDR91PDE2APTGS1TRPV1BACE1
SCHEMBL22657408 0.92 MALT1 (0.45) WDR91PDE2AMALT1STAT3STAT1
SCHEMBL22686817 0.90 PDE2A (0.46) WDR91PDE2AMALT1STAT3STAT1
SCHEMBL22684762 0.88 PDE2A (0.42) WDR91PDE2APTGS1TRPV1BACE1
SCHEMBL22685206 0.82 PDE2A (0.48) PDE2APTGS1
SCHEMBL22685078 0.81 WDR91 (0.53) WDR91PDE2AMALT1
SCHEMBL22686821 0.80 MALT1 (0.45) WDR91PDE2AMALT1STAT3STAT1
SCHEMBL22685182 0.80 PDE2A (0.41) PDE2APTGS1TRPV1
SCHEMBL22685207 0.80 PDE2A (0.43) PDE2A
SCHEMBL22685246 0.79 WDR91 (0.45) WDR91MALT1

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-2020228823-A1 NOVEL AMIDE COMPOUNDS AND USES THEREOF HUTCHISON MEDIPHARMA LIMITED (CN) 2020-11-19 WO disclosed