SCHEMBL29156263

SCHEMBL29156263

CC(=O)N(C)C1CCN(C(=O)OC(C)(C)C)C(C)(C)C1

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DDB1 Q16531 1/20 0.37
CRBN Q96SW2 1/20 0.37
USP30 Q70CQ3 3/20 0.37
HSD11B1 P28845 1/20 0.36
GPR119 Q8TDV5 6/20 0.33
VNN1 O95497 2/20 0.33
HPGD P15428 1/20 0.33
CHRM2 P08172 1/20 0.33
CHRM1 P11229 1/20 0.33
CHRM3 P20309 1/20 0.33
EPHX2 P34913 1/20 0.33

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
SCHEMBL30155351 1.00 DDB1 (0.37) DDB1CRBNUSP30HSD11B1GPR119
SCHEMBL30155382 1.00 DDB1 (0.37) DDB1CRBNUSP30HSD11B1GPR119
SCHEMBL29156254 0.80 DPP4 (0.33) VNN1
SCHEMBL29156257 0.80 DPP4 (0.33) VNN1
SCHEMBL29156337 0.80 DPP4 (0.33) VNN1
SCHEMBL24700145 0.78 MEN1 (0.46) USP30HSD11B1GPR119
SCHEMBL1827484 0.77 HPGD (0.51) USP30GPR119HPGD
SCHEMBL23825249 0.77 CHRM2 (0.41) HSD11B1HPGDCHRM2CHRM1CHRM3
SCHEMBL5140938 0.77 CHRM2 (0.45) HSD11B1GPR119HPGDCHRM2CHRM1
SCHEMBL29156343 0.77 HPGD (0.40) DDB1CRBNUSP30HPGDCHRM2

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
CN-117425649-A Pyrazole derivatives as KRAS mutein inhibitors 诺华股份有限公司 2024-01-19 CN disclosed