SCHEMBL22685192

SCHEMBL22685192

Nc1cc(C(F)(F)F)nc(N)c1-c1ccc(C2(NC(=O)c3ccc(F)cc3)CC2)cc1

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 9/20 0.40
IDO1 P14902 7/20 0.38
PTGER4 P35408 2/20 0.37
PTGDR Q13258 1/20 0.37
MAST3 O60307 1/20 0.37
MAPK8 P45983 1/20 0.37
HSD17B13 Q7Z5P4 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
SCHEMBL22686805 0.91 PTGER4 (0.42) PDE2AIDO1PTGER4PTGDRMAPK8
SCHEMBL22684799 0.84 IDO1 (0.39) PDE2AIDO1
SCHEMBL22685171 0.76 WDR91 (0.43) PDE2AIDO1PTGER4PTGDR
SCHEMBL22685325 0.76 PDE2A (0.39) PDE2AIDO1PTGER4PTGDR
SCHEMBL22685191 0.75 WDR91 (0.43) PDE2AIDO1
SCHEMBL22685266 0.74 PDE2A (0.40) PDE2AIDO1HSD17B13
SCHEMBL22685074 0.74 IDO1 (0.51) PDE2AIDO1
SCHEMBL22684761 0.74 HDAC1 (0.44) IDO1MAST3MAPK8HSD17B13
SCHEMBL22685327 0.73 PDE2A (0.39) PDE2AIDO1
SCHEMBL23919028 0.72 IDO1 (0.60) PDE2AIDO1HSD17B13

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