SCHEMBL22657407

SCHEMBL22657407

CC(C)(C)NC(=O)OC1(c2ccc(-c3ncc(C(F)(F)F)cc3N)cc2)CC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CFTR P13569 2/20 0.37
ALOX5AP P20292 2/20 0.37
FEN1 P39748 2/20 0.37
CNR1 P21554 2/20 0.34
POLB P06746 2/20 0.33
KDM4E B2RXH2 2/20 0.33
BACE1 P56817 3/20 0.33
HTT P42858 2/20 0.33
APP P05067 1/20 0.33
CTSD P07339 1/20 0.33
BACE2 Q9Y5Z0 1/20 0.33
LMNA P02545 1/20 0.33
PTGS1 P23219 1/20 0.32
PTGS2 P35354 1/20 0.32
GAA P10253 1/20 0.32
LPAR1 Q92633 3/20 0.32
LPAR3 Q9UBY5 3/20 0.32
AKT1 P31749 1/20 0.32
AKT2 P31751 1/20 0.32
MAPT P10636 1/20 0.32

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
SCHEMBL28488029 0.86 PTGS2 (0.35) CFTRCNR1POLBKDM4EHTT
SCHEMBL17674500 0.80 APP (0.40) APP
SCHEMBL22686802 0.79 AKT1 (0.41) CFTRCNR1BACE1AKT1AKT2
SCHEMBL22685372 0.74 KDM4E (0.40) POLBKDM4EAKT1AKT2
SCHEMBL22685206 0.72 PDE2A (0.48) PTGS1
SCHEMBL22657408 0.70 MALT1 (0.45) PTGS1AKT1
SCHEMBL22685207 0.70 PDE2A (0.43)
SCHEMBL22686817 0.69 PDE2A (0.46) HTTLMNAPTGS1
SCHEMBL27878075 0.69 POLB (0.36) POLB
SCHEMBL28046111 0.68 OPRM1 (0.35)

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