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SCHEMBL25344456

SCHEMBL25344456

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

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ SSTR4 P31391 1/20 0.37
▸ NPSR1 Q6W5P4 2/20 0.33
▸ CPB2 Q96IY4 3/20 0.32
▸ PRPS1 P60891 1/20 0.31
▸ ACHE P22303 1/20 0.31
▸ CA14 Q9ULX7 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
SCHEMBL25344077 0.88 SSTR4 (0.42) SSTR4NPSR1CPB2PRPS1CA14
SCHEMBL25342185 0.84 USP30 (0.31) —
SCHEMBL30568447 0.84 USP30 (0.31) —
SCHEMBL30568456 0.77 PRPS1 (0.39) SSTR4NPSR1CPB2PRPS1
SCHEMBL25343570 0.75 PRPS1 (0.39) SSTR4NPSR1CPB2PRPS1
SCHEMBL30568387 0.75 PRPS1 (0.39) SSTR4NPSR1CPB2PRPS1
SCHEMBL25343063 0.75 SSTR4 (0.45) SSTR4NPSR1CPB2PRPS1CA14
SCHEMBL30568651 0.75 SSTR4 (0.45) SSTR4NPSR1CPB2PRPS1CA14
SCHEMBL25344167 0.75 PRPS1 (0.42) SSTR4NPSR1CPB2PRPS1
SCHEMBL25344478 0.75 DYRK1A (0.40) CPB2

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