SCHEMBL30568626

SCHEMBL30568626

CN(CCCn1cnc2cccc(B3OC(C)(C)C(C)(C)O3)c21)C(=O)OC(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 1/20 0.36
TRPV4 Q9HBA0 1/20 0.33
GBA1 P04062 1/20 0.33
PDK2 Q15119 1/20 0.32
AAK1 Q2M2I8 2/20 0.31
BACE1 P56817 1/20 0.31
BACE2 Q9Y5Z0 1/20 0.31
HTR2C P28335 1/20 0.30
SLC6A4 P31645 1/20 0.30
CPB2 Q96IY4 1/20 0.30

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
SCHEMBL25343427 1.00 USP30 (0.36) USP30TRPV4GBA1PDK2AAK1
SCHEMBL25346349 0.96 USP30 (0.35) USP30TRPV4GBA1PDK2
SCHEMBL30568483 0.96 USP30 (0.35) USP30TRPV4GBA1PDK2
SCHEMBL30568630 0.90 USP30 (0.34) USP30GBA1PDK2
SCHEMBL25341995 0.90 USP30 (0.34) USP30GBA1PDK2
SCHEMBL25344607 0.90 USP30 (0.35) USP30AAK1BACE1BACE2
SCHEMBL30568453 0.90 USP30 (0.35) USP30AAK1BACE1BACE2
SCHEMBL30568534 0.89 USP30 (0.34) USP30AAK1
SCHEMBL25343527 0.89 USP30 (0.34) USP30AAK1
SCHEMBL25343953 0.87 USP30 (0.33) USP30AAK1

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-4472739-A1 IMIDAZOLE MACROCYCLES FOR THE TREATMENT OF AUTOIMMUNE DISEASE F. Hoffmann-La Roche AG (CH) 2024-12-11 EP disclosed
WO-2023148129-A1 IMIDAZOLE MACROCYCLES FOR THE TREATMENT OF AUTOIMMUNE DISEASE F. HOFFMANN-LA ROCHE AG (CH) 2023-08-10 WO disclosed