SCHEMBL30328883

SCHEMBL30328883

CC(C)(C)OC(=O)N1CCCC2(CCN(c3cccnc3C(F)(F)F)C2=O)C1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 2/20 0.50
HRH3 Q9Y5N1 6/20 0.42
POLB P06746 1/20 0.39
OPRM1 P35372 2/20 0.37
SIGMAR1 Q99720 2/20 0.37
KCNH2 Q12809 1/20 0.37
ADRA1A P35348 1/20 0.37
HTR2B P41595 1/20 0.37
DTYMK P23919 1/20 0.36
CYP11B2 P19099 1/20 0.36
MKNK1 Q9BUB5 1/20 0.36
GPR119 Q8TDV5 2/20 0.36
MAPT P10636 1/20 0.36
EIF2AK4 Q9P2K8 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35

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
SCHEMBL30328454 0.83 TSHR (0.40) POLBOPRM1SIGMAR1KCNH2DTYMK
SCHEMBL30327747 0.81 HSD17B10 (0.47) POLBCYP11B2GPR119EIF2AK4
SCHEMBL550592 0.81 USP30 (0.57) USP30HRH3CYP11B2MAPTHDAC1
SCHEMBL30328340 0.80 USP30 (0.50) USP30HRH3MKNK1MAPTEIF2AK4
SCHEMBL25164950 0.79 HSD17B10 (0.53) CYP11B2EIF2AK4
SCHEMBL30328325 0.79 USP30 (0.54) USP30HRH3OPRM1SIGMAR1CYP11B2
SCHEMBL5424968 0.78 USP30 (0.74) USP30HRH3CYP11B2GPR119
SCHEMBL30329126 0.77 TSHR (0.48) CYP11B2EIF2AK4
SCHEMBL30328864 0.77 EIF2AK4 (0.51) POLBCYP11B2GPR119EIF2AK4
SCHEMBL30327732 0.76 TRPV1 (0.48) USP30HRH3POLB

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