SCHEMBL21887074

SCHEMBL21887074

CC(C)(C)OC(=O)N1CC[C@H](Oc2ccc(/C(N)=N/O)cc2)C1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHEK2 O96017 2/20 0.54
GPR119 Q8TDV5 6/20 0.53
USP30 Q70CQ3 2/20 0.51
PIK3CD O00329 3/20 0.45
PDE4B Q07343 2/20 0.44
PIK3CA P42336 2/20 0.44
PIK3CB P42338 2/20 0.44
PIK3CG P48736 2/20 0.44
ITGB3 P05106 1/20 0.42
ITGA2B P08514 1/20 0.42
PDE4A P27815 1/20 0.42
PDE4C Q08493 1/20 0.42
PDE4D Q08499 1/20 0.42

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
SCHEMBL21824790 0.93 GPR119 (0.61) CHEK2GPR119PDE4BPDE4APDE4C
SCHEMBL21825204 0.91 CHEK2 (0.48) CHEK2GPR119USP30PDE4B
SCHEMBL21887531 0.91 CHEK2 (0.48) CHEK2GPR119USP30PDE4B
SCHEMBL21824928 0.87 USP30 (0.50) CHEK2GPR119USP30PIK3CDPDE4B
SCHEMBL5545000 0.85 USP30 (0.58) CHEK2GPR119USP30PIK3CD
SCHEMBL5544755 0.85 USP30 (0.58) CHEK2GPR119USP30PIK3CD
SCHEMBL240368 0.85 USP30 (0.58) CHEK2GPR119USP30PIK3CD
SCHEMBL699609 0.85 GPR119 (0.58) CHEK2GPR119USP30PIK3CDPDE4B
SCHEMBL15376614 0.85 GPR119 (0.58) CHEK2GPR119USP30PIK3CDPDE4B
SCHEMBL699608 0.85 GPR119 (0.58) CHEK2GPR119USP30PIK3CDPDE4B

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-2020070610-A1 NOVEL OXADIAZOLES PI INDUSTRIES LTD. (IN) 2020-04-09 WO disclosed