SCHEMBL25342185

SCHEMBL25342185

CC(C)(C)OC(=O)N(CCCOc1ncccn1)CCCn1cnc2cc(F)cc(B3OC(C)(C)C(C)(C)O3)c21

nearest known ligand 0.31

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 1/20 0.31
BACE1 P56817 1/20 0.30
BACE2 Q9Y5Z0 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
SCHEMBL30568447 1.00 USP30 (0.31) USP30BACE1BACE2
SCHEMBL25344456 0.84 SSTR4 (0.37)
SCHEMBL30568503 0.80 USP30 (0.33) USP30
SCHEMBL25343953 0.80 USP30 (0.33) USP30
SCHEMBL30568534 0.78 USP30 (0.34) USP30
SCHEMBL25343527 0.78 USP30 (0.34) USP30
SCHEMBL30568453 0.78 USP30 (0.35) USP30BACE1BACE2
SCHEMBL25344607 0.78 USP30 (0.35) USP30BACE1BACE2
SCHEMBL25343304 0.78 USP30 (0.33) USP30BACE1BACE2
SCHEMBL30568672 0.78 USP30 (0.33) USP30BACE1BACE2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023148129-A1 IMIDAZOLE MACROCYCLES FOR THE TREATMENT OF AUTOIMMUNE DISEASE F. HOFFMANN-LA ROCHE AG (CH) 2023-08-10 WO disclosed