SCHEMBL4725652

SCHEMBL4725652

CC(C)(C)[Si](C)(C)O[C@H]1C[C@@H](CN)N(C(=O)O)C1

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
BDKRB2 P30411 1/20 0.34
PPM1D O15297 1/20 0.34
VHL P40337 1/20 0.31
ELOC Q15369 1/20 0.31
ELOB Q15370 1/20 0.31

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
SCHEMBL19834205 0.89 PPM1D (0.33) PPM1D
SCHEMBL4416435 0.88 PPM1D (0.33) PPM1DVHLELOCELOB
SCHEMBL3433762 0.88 PPM1D (0.33) PPM1D
SCHEMBL3525995 0.87 PPM1D (0.34) PPM1D
SCHEMBL29245844 0.87 PPM1D (0.34) PPM1D
SCHEMBL376587 0.87 PPM1D (0.34) PPM1D
SCHEMBL2634064 0.87 PPM1D (0.34) PPM1D
SCHEMBL5314317 0.87 PPM1D (0.34) PPM1D
SCHEMBL30729563 0.87 PPM1D (0.34) PPM1D
SCHEMBL3470472 0.87 PPM1D (0.34) PPM1D

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-2008028662-A1 N-[1-(3-AMINO-4-PHENYL-BUTYRYL)-4-HYDROXY-PYRROLIDIN-2-YLMETHYL}-PROPIONAMIDE AND RELATED COMPOUNDS AS DPP-IV INHIBITORS FOR THE TREATMENT OF TYPE 2 DIABETES MELLITUS SANTHERA PHARMACEUTICALS (SCHWEIZ) AG (CH) 2008-03-13 WO disclosed