SCHEMBL30801985

SCHEMBL30801985

CC(C)(C)OC(=O)N1CCC2(CC1)CC(Oc1ccc(B3OC(C)(C)C(C)(C)O3)cc1F)C2

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 7/20 0.47
USP30 Q70CQ3 1/20 0.43
MGLL Q99685 1/20 0.40
ROCK1 Q13464 1/20 0.39
PDE4D Q08499 3/20 0.39
PDE4A P27815 2/20 0.39
PDE4B Q07343 2/20 0.39
PDE4C Q08493 2/20 0.39
BACE1 P56817 1/20 0.39
BACE2 Q9Y5Z0 1/20 0.39
HDAC2 Q92769 2/20 0.39
HDAC1 Q13547 1/20 0.39
KDM1A O60341 1/20 0.38
NAMPT P43490 2/20 0.38
AAK1 Q2M2I8 1/20 0.37

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
SCHEMBL13717948 0.89 GPR119 (0.58) GPR119USP30ROCK1PDE4DPDE4A
SCHEMBL31216632 0.85 USP30 (0.47) GPR119USP30MGLLNAMPTAAK1
SCHEMBL30490303 0.83 GPR119 (0.54) GPR119MGLLPDE4DPDE4APDE4B
SCHEMBL30801988 0.82 GPR119 (0.48) GPR119USP30MGLLHDAC2HDAC1
SCHEMBL30801945 0.82 GPR119 (0.52) GPR119USP30PDE4DPDE4APDE4B
SCHEMBL23150520 0.81 GPR119 (0.51) GPR119MGLLPDE4DPDE4APDE4B
SCHEMBL31496265 0.81 USP30 (0.54) GPR119USP30MGLLNAMPT
SCHEMBL1474406 0.79 KDM1A (0.49) GPR119MGLLHDAC2HDAC1KDM1A
SCHEMBL18825434 0.79 USP30 (0.49) GPR119USP30ROCK1AAK1
SCHEMBL31498784 0.79 CYP11B2 (0.48) GPR119USP30ROCK1BACE1BACE2

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-2024054603-A1 HETEROBIFUNCTIONAL COMPOUNDS AND METHODS OF TREATING DISEASE HALDA THERAPEUTICS OPCO, INC. (US) 2024-03-14 WO disclosed