SCHEMBL29311690

SCHEMBL29311690

c1ccc(C(=Nc2ccc(OC3CCN(C4COC4)CC3)nn2)c2ccccc2)cc1

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GLS O94925 2/20 0.34
HRH1 P35367 4/20 0.34
CCR3 P51677 4/20 0.34
KCNH2 Q12809 3/20 0.34
CHRM2 P08172 1/20 0.34
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
HRH3 Q9Y5N1 8/20 0.33
MAP3K12 Q12852 1/20 0.32

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
SCHEMBL31110042 0.83 GLS (0.34) GLSKCNH2
SCHEMBL30986476 0.83 MEN1 (0.44) GLSHRH1KCNH2CHRM2KMT2A
SCHEMBL17654073 0.81 GLS (0.52) GLSHRH3
SCHEMBL29311693 0.76 MAP3K12 (0.39) KCNH2HRH3MAP3K12
SCHEMBL17654166 0.75 GPR119 (0.56) KMT2AMEN1
SCHEMBL31466576 0.75 GPR119 (0.56) KMT2AMEN1
SCHEMBL30986469 0.74 MAP3K12 (0.37) KCNH2HRH3MAP3K12
SCHEMBL29311685 0.74 MAP3K12 (0.37) KCNH2HRH3MAP3K12
SCHEMBL16292286 0.65 HRH3 (0.44) KCNH2HRH3MAP3K12
SCHEMBL16292314 0.65 HRH3 (0.44) KCNH2HRH3MAP3K12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4642773-A1 NEW BENZIMIDAZOLE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2025-11-05 EP disclosed
EP-4642535-A1 BENZIMIDAZOLE DERIVATIVES USEFUL AS SIK MODULATORS F. Hoffmann-La Roche AG (CH) 2025-11-05 EP disclosed
WO-2024141443-A1 BENZIMIDAZOLE DERIVATIVES USEFUL AS SIK MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2024-07-04 WO disclosed
WO-2024141443-A1 BENZIMIDAZOLE DERIVATIVES USEFUL AS SIK MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2024-07-04 WO disclosed
WO-2024141444-A1 NEW BENZIMIDAZOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2024-07-04 WO disclosed