SCHEMBL29311708

SCHEMBL29311708

COC1CN(CCc2ccc(NC(=O)OC(C)(C)C)nn2)C1

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GLS O94925 16/20 0.40
GRIN2B Q13224 1/20 0.38
DRD2 P14416 1/20 0.37
ABL1 P00519 1/20 0.36
PTK6 Q13882 1/20 0.36
GSK3B P49841 1/20 0.35
DYRK1A Q13627 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
SCHEMBL25082075 0.78 GLS (0.54) GLS
SCHEMBL30278799 0.78 GLS (0.54) GLS
SCHEMBL30278820 0.78 GLS (0.54) GLS
SCHEMBL25319219 0.76 GABRA1 (0.38) GRIN2BGSK3BDYRK1A
SCHEMBL31150452 0.76 GABRA1 (0.38) GRIN2BGSK3BDYRK1A
SCHEMBL26822131 0.74 GLS (0.43) GLS
SCHEMBL24824441 0.74 GLS (0.43) GLS
SCHEMBL30672258 0.74 GLS (0.43) GLS
SCHEMBL30672289 0.73 GLS (0.42) GLS
SCHEMBL26822836 0.73 GLS (0.42) GLS

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-2024141443-A1 BENZIMIDAZOLE DERIVATIVES USEFUL AS SIK MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2024-07-04 WO disclosed