SCHEMBL29913053

SCHEMBL29913053

CC(C)(C)OC(=O)N1CCC(Oc2ncccc2C(F)(F)F)CC1

nearest known ligand 0.57

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 11/20 0.52
HRH3 Q9Y5N1 2/20 0.48
POLB P06746 1/20 0.47
SSTR1 P30872 1/20 0.47
SSTR4 P31391 1/20 0.47
KDM1A O60341 1/20 0.46
RBP4 P02753 1/20 0.46

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
SCHEMBL5269296 1.00 GPR119 (0.52) GPR119HRH3POLBSSTR1SSTR4
SCHEMBL2774820 0.86 GPR119 (0.54) GPR119POLB
SCHEMBL21752528 0.85 GPR119 (0.55) GPR119POLB
SCHEMBL5267821 0.85 SCD (0.48) HRH3SSTR1SSTR4RBP4
SCHEMBL29913160 0.85 SSTR4 (0.52) GPR119POLBSSTR1SSTR4
SCHEMBL27158022 0.85 SSTR4 (0.52) GPR119POLBSSTR1SSTR4
SCHEMBL21752524 0.84 SSTR4 (0.49) GPR119HRH3SSTR1SSTR4
SCHEMBL21752523 0.84 SSTR4 (0.49) GPR119HRH3SSTR1SSTR4
SCHEMBL5267601 0.84 POLB (0.55) GPR119POLB
SCHEMBL14335009 0.84 GPR119 (0.54) GPR119POLBKDM1A

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-4329881-A1 SMALL MOLECULE MODULATORS OF GLUCOCEREBROSIDASE ACTIVITY AND USES THEREOF Vanqua Bio, Inc. (US) 2024-03-06 EP disclosed
WO-2022232383-A1 SMALL MOLECULE MODULATORS OF GLUCOCEREBROSIDASE ACTIVITY AND USES THEREOF VANQUA BIO, INC. (US) 2022-11-03 WO disclosed