SCHEMBL22686808

SCHEMBL22686808

Nc1cc(OC(F)(F)F)cnc1-c1ccc(C2(NC(=O)c3ccc(Cl)cc3)CCC2)cc1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 11/20 0.46
WDR91 A4D1P6 2/20 0.39
IDO1 P14902 1/20 0.38
SCN9A Q15858 1/20 0.37
MALT1 Q9UDY8 1/20 0.37
AKT1 P31749 1/20 0.37
F10 P00742 1/20 0.36
TRPV1 Q8NER1 1/20 0.36
HSD11B1 P28845 1/20 0.36

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
SCHEMBL22686804 0.92 PDE2A (0.47) PDE2ASCN9A
SCHEMBL22686806 0.90 PDE2A (0.49) PDE2ASCN9ATRPV1
SCHEMBL22685203 0.87 PDE2A (0.47) PDE2AAKT1TRPV1
SCHEMBL22685187 0.86 PDE2A (0.44) PDE2ATRPV1
SCHEMBL22686817 0.86 PDE2A (0.46) PDE2AWDR91IDO1MALT1TRPV1
SCHEMBL22685184 0.85 PDE2A (0.41) PDE2ASCN9ATRPV1
SCHEMBL22685183 0.84 MALT1 (0.44) WDR91MALT1AKT1
SCHEMBL22685345 0.84 PDE2A (0.44) PDE2AWDR91MALT1AKT1
SCHEMBL22657408 0.82 MALT1 (0.45) PDE2AWDR91MALT1AKT1TRPV1
SCHEMBL22685246 0.82 WDR91 (0.45) WDR91MALT1AKT1F10

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