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SCHEMBL30329057

SCHEMBL30329057

CC(C)(C)OC(=O)N1CCC2(CC1)CCN(c1cnc(S(C)(=O)=O)nc1C(F)(F)F)C2

nearest known ligand 0.47

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ CYP11B2 P19099 1/20 0.47
▸ GPR119 Q8TDV5 15/20 0.41
▸ ACACB O00763 3/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL30328105 0.85 CYP11B2 (0.48) CYP11B2GPR119ACACB
SCHEMBL30328978 0.84 CYP11B2 (0.48) CYP11B2GPR119ACACB
SCHEMBL30327857 0.79 CYP11B2 (0.48) CYP11B2GPR119ACACB
SCHEMBL30328552 0.79 CYP11B2 (0.50) CYP11B2GPR119ACACB
SCHEMBL17925046 0.78 GPR119 (0.54) CYP11B2GPR119
SCHEMBL30328924 0.78 CYP11B2 (0.49) CYP11B2GPR119ACACB
SCHEMBL30328268 0.78 CYP11B2 (0.49) CYP11B2GPR119ACACB
SCHEMBL30329202 0.77 CYP11B2 (0.48) CYP11B2GPR119ACACB
SCHEMBL30328302 0.77 CYP11B2 (0.49) CYP11B2GPR119ACACB
SCHEMBL30328168 0.77 CYP11B2 (0.48) CYP11B2GPR119ACACB

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4415706-A1 SMALL MOLECULE MODULATORS OF GLUCOCEREBROSIDASE ACTIVITY AND USES THEREOF Vanqua Bio, Inc. (US) 2024-08-21 — — EP disclosed
WO-2023064343-A1 SMALL MOLECULE MODULATORS OF GLUCOCEREBROSIDASE ACTIVITY AND USES THEREOF VANQUA BIO, INC. (US) 2023-04-20 — — WO disclosed
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