SCHEMBL18517697

SCHEMBL18517697

CC(C)(C)OC(=O)N[C@@]1(c2cccc(F)c2F)COC[C@H]1CC1C(=O)OC(C)(C)OC1=O

nearest known ligand 0.31

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 2/20 0.31
GPR119 Q8TDV5 1/20 0.31
GAA P10253 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
SCHEMBL18498592 0.87 HCAR2 (0.32)
SCHEMBL18517869 0.84 GPR119 (0.34) SCN9AGPR119GAA
SCHEMBL18517695 0.83 GAA (0.31) GAA
SCHEMBL18498615 0.78 HDAC4 (0.34) SCN9AGPR119GAA
SCHEMBL6921038 0.77 DPP8 (0.35) SCN9AGPR119GAA
SCHEMBL12693430 0.77 DPP8 (0.35) SCN9AGPR119GAA
SCHEMBL21764456 0.71 GPR119 (0.34) SCN9AGPR119
SCHEMBL18498606 0.70 HCAR2 (0.33)
SCHEMBL13467314 0.69 DPP8 (0.35) SCN9AGPR119GAA
SCHEMBL12693426 0.69 DPP8 (0.35) SCN9AGPR119GAA

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