SCHEMBL25154184

SCHEMBL25154184

CC(C)(C)OC(=O)N1CCC2CN(c3cc(C(F)(F)F)ccn3)CC2C1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ GPR119 Q8TDV5 9/20 0.53
▸ HRH3 Q9Y5N1 1/20 0.50
▸ SYK P43405 1/20 0.46
▸ HDAC1 Q13547 1/20 0.45
▸ HDAC2 Q92769 1/20 0.45
▸ KDM4E B2RXH2 1/20 0.45
▸ ALDH1A1 P00352 1/20 0.45
▸ MAPT P10636 1/20 0.45
▸ USP30 Q70CQ3 1/20 0.45
▸ ACACB O00763 2/20 0.44
▸ HCRTR1 O43613 3/20 0.44
▸ HCRTR2 O43614 3/20 0.44
▸ FFAR4 Q5NUL3 1/20 0.44

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
SCHEMBL25154182 1.00 GPR119 (0.53) GPR119HRH3SYKHDAC1HDAC2
SCHEMBL30478584 0.85 FFAR4 (0.51) HRH3KDM4EALDH1A1MAPTACACB
SCHEMBL26127089 0.82 HRH3 (0.60) GPR119HRH3SYKKDM4EALDH1A1
SCHEMBL15282654 0.81 HRH3 (0.48) GPR119HRH3HDAC1MAPTUSP30
SCHEMBL17793695 0.79 HRH3 (0.46) GPR119HRH3SYKMAPTUSP30
SCHEMBL30478511 0.78 GPR119 (0.50) GPR119HDAC1HDAC2ACACB
SCHEMBL30327670 0.78 FFAR4 (0.59) GPR119HRH3SYKKDM4EALDH1A1
SCHEMBL30327813 0.78 FFAR4 (0.45) GPR119HRH3SYKKDM4EALDH1A1
SCHEMBL25154253 0.78 GPR119 (0.54) GPR119HDAC1HDAC2USP30HCRTR1
SCHEMBL30478566 0.78 GPR119 (0.49) GPR119ACACB

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-2023064345-A1 SMALL MOLECULE MODULATORS OF GLUCOCEREBROSIDASE ACTIVITY AND USES THEREOF VANQUA BIO, INC. (US) 2023-04-20 — — WO disclosed
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