SCHEMBL30327697

SCHEMBL30327697

Cc1cnc(C(F)(F)F)nc1N1CCC2(CCN(C(=O)OC(C)(C)C)CC2)C1=O

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 6/20 0.44
▸ USP30 Q70CQ3 1/20 0.42
▸ ACACB O00763 5/20 0.38
▸ SYK P43405 1/20 0.37
▸ CYP11B2 P19099 1/20 0.37
▸ PIK3R1 P27986 1/20 0.36
▸ PIK3CA P42336 1/20 0.36
▸ USP1 O94782 1/20 0.36
▸ SPR P35270 1/20 0.35
▸ HDAC4 P56524 1/20 0.35
▸ TACR1 P25103 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
SCHEMBL30327913 0.83 ACACB (0.42) ACACBSYKCYP11B2USP1SPR
SCHEMBL30328964 0.83 HRH3 (0.47) HRH3USP30ACACBSYKPIK3CA
SCHEMBL30327982 0.81 USP30 (0.45) HRH3USP30SYKHDAC4TACR1
Hydrochloric Acid SCHEMBL30328975 0.79 TYK2 (0.41) HRH3
SCHEMBL30328647 0.79 CYP11B2 (0.50) ACACBCYP11B2PIK3R1PIK3CASPR
SCHEMBL30328394 0.78 HRH3 (0.50) HRH3USP30SYKTACR1
SCHEMBL30328457 0.77 MEN1 (0.52) HRH3USP30TACR1
SCHEMBL30327732 0.77 TRPV1 (0.48) HRH3USP30
SCHEMBL30328534 0.77 HRH3 (0.51) HRH3USP30ACACBPIK3CAHDAC4
SCHEMBL30328507 0.76 USP30 (0.44) HRH3USP30ACACBCYP11B2HDAC4

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
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