SCHEMBL29913069

SCHEMBL29913069

CC(C)(C)OC(=O)N1CCC2(CC1)CCN(c1cccc(C(F)(F)F)n1)C2=O

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 1/20 0.51
IDH1 O75874 2/20 0.48
IDH2 P48735 1/20 0.48
HRH3 Q9Y5N1 7/20 0.46
TACR1 P25103 1/20 0.41
GPR119 Q8TDV5 1/20 0.40
ROCK2 O75116 1/20 0.40
RORC P51449 1/20 0.39
TSHR P16473 2/20 0.39
ALOX15 P16050 1/20 0.39
HDAC4 P56524 1/20 0.39
CKS1B P61024 1/20 0.39
SKP1 P63208 1/20 0.39
SKP2 Q13309 1/20 0.39
LOXL2 Q9Y4K0 1/20 0.38
CYP11B2 P19099 1/20 0.38

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
SCHEMBL30328325 0.89 USP30 (0.54) USP30IDH1IDH2HRH3ROCK2
SCHEMBL30329179 0.85 IDH1 (0.42) USP30IDH1IDH2HRH3
SCHEMBL30328822 0.85 USP30 (0.46) USP30IDH1IDH2HRH3TACR1
SCHEMBL30328507 0.85 USP30 (0.44) USP30IDH1IDH2HRH3TACR1
SCHEMBL30329001 0.84 IDH1 (0.45) USP30IDH1IDH2HRH3TACR1
SCHEMBL30327982 0.83 USP30 (0.45) USP30HRH3TACR1GPR119HDAC4
SCHEMBL30328170 0.83 USP30 (0.45) USP30IDH1IDH2HRH3GPR119
SCHEMBL30327739 0.82 EPHX2 (0.44) USP30HRH3TACR1ROCK2
SCHEMBL30327794 0.82 USP30 (0.48) USP30HRH3GPR119ROCK2TSHR
SCHEMBL30328017 0.81 HRH3 (0.53) IDH1IDH2HRH3TACR1GPR119

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 4 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
EP-4329881-A1 SMALL MOLECULE MODULATORS OF GLUCOCEREBROSIDASE ACTIVITY AND USES THEREOF Vanqua Bio, Inc. (US) 2024-03-06 EP disclosed
WO-2023064343-A1 SMALL MOLECULE MODULATORS OF GLUCOCEREBROSIDASE ACTIVITY AND USES THEREOF VANQUA BIO, INC. (US) 2023-04-20 WO disclosed
WO-2022232383-A1 SMALL MOLECULE MODULATORS OF GLUCOCEREBROSIDASE ACTIVITY AND USES THEREOF VANQUA BIO, INC. (US) 2022-11-03 WO disclosed