SCHEMBL30328604

SCHEMBL30328604

CC(C)(C)OC(=O)N1CCC2(CC1)CCN(c1nnc(C(F)(F)F)s1)C2=O

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 1/20 0.45
HRH3 Q9Y5N1 6/20 0.42
CTSD P07339 1/20 0.36
CTSE P14091 1/20 0.36
BACE1 P56817 1/20 0.36
OPRM1 P35372 1/20 0.36
OPRL1 P41146 1/20 0.36
GPR119 Q8TDV5 2/20 0.35
TACR1 P25103 1/20 0.35
EPHX2 P34913 1/20 0.35
HDAC1 Q13547 2/20 0.34
HDAC8 Q9BY41 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
USP2 O75604 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MAPT P10636 1/20 0.34
HDAC2 Q92769 1/20 0.34

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
SCHEMBL30329063 0.81 USP30 (0.43) USP30HRH3CTSDCTSEBACE1
SCHEMBL2830810 0.79 ATM (0.47) GPR119USP2SMN1; SMN2MAPT
SCHEMBL30329292 0.77 CYP11B2 (0.44) USP30HDAC1HDAC2
SCHEMBL30329471 0.77 OPRM1 (0.40) HRH3OPRM1OPRL1
SCHEMBL30328912 0.76 HRH3 (0.42) USP30HRH3GPR119TACR1EPHX2
SCHEMBL30327982 0.74 USP30 (0.45) USP30HRH3GPR119TACR1
SCHEMBL30328822 0.73 USP30 (0.46) USP30HRH3TACR1EPHX2MAPT
SCHEMBL30328507 0.73 USP30 (0.44) USP30HRH3GPR119TACR1EPHX2
SCHEMBL29913069 0.73 USP30 (0.51) USP30HRH3GPR119TACR1
SCHEMBL30328066 0.72 USP30 (0.50) USP30HRH3OPRL1GPR119MAPT

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