SCHEMBL18517869

SCHEMBL18517869

CC(C)(C)OC(=O)N[C@@]1(c2cccc(F)c2F)COC[C@H]1CO

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 2/20 0.34
HDAC4 P56524 1/20 0.33
DPP8 Q6V1X1 3/20 0.33
DPP9 Q86TI2 3/20 0.33
GAA P10253 1/20 0.33
SCN9A Q15858 5/20 0.32
RPS6KA1 Q15418 1/20 0.31
MITF O75030 1/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
MAPK1 P28482 1/20 0.31
HTT P42858 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
HSD17B10 Q99714 1/20 0.31
CTSS P25774 1/20 0.31
CTSK P43235 1/20 0.31
RORC P51449 1/20 0.30
EPHX2 P34913 1/20 0.30
APLNR P35414 1/20 0.30

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
SCHEMBL12693430 0.92 DPP8 (0.35) GPR119DPP8DPP9GAASCN9A
SCHEMBL6921038 0.92 DPP8 (0.35) GPR119DPP8DPP9GAASCN9A
SCHEMBL18498615 0.84 HDAC4 (0.34) GPR119HDAC4DPP8DPP9GAA
SCHEMBL18517697 0.84 SCN9A (0.31) GPR119GAASCN9A
SCHEMBL21764456 0.81 GPR119 (0.34) GPR119HDAC4DPP8DPP9SCN9A
SCHEMBL16292790 0.80 BACE1 (0.39) RORC
SCHEMBL18517695 0.78 GAA (0.31) GAA
SCHEMBL21527071 0.77 BACE1 (0.36) GPR119DPP8DPP9SCN9ALMNA
SCHEMBL13467314 0.75 DPP8 (0.35) GPR119HDAC4DPP8DPP9GAA
SCHEMBL12693426 0.75 DPP8 (0.35) GPR119HDAC4DPP8DPP9GAA

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-2017025565-A1 2-AMINO-7A-PHENYL-3,4,4A,5,7,7A-HEXAHYDROFURO[3,4-B]PYRIDINES AS BACE1 INHIBITORS H. LUNDBECK A/S (DK) 2017-02-16 WO disclosed