SCHEMBL4392882

SCHEMBL4392882

Cc1nc(N[C@H]2C[C@@H](C(=O)N3CCSC3)N(C(=O)OC(C)(C)C)C2)c(F)c(F)c1F

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PREP P48147 3/20 0.39
TGM2 P21980 1/20 0.36
DPP4 P27487 7/20 0.34
HSD17B10 Q99714 2/20 0.33
CYP1A2 P05177 1/20 0.31
POLB P06746 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C19 P33261 1/20 0.31
ALDH1A1 P00352 1/20 0.30
SCN4A P35499 1/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL2709313 0.79 DPP4 (0.53) PREPTGM2DPP4HSD17B10ALDH1A1
SCHEMBL2709311 0.79 DPP4 (0.53) PREPTGM2DPP4HSD17B10ALDH1A1
SCHEMBL4392886 0.79 CYP3A4 (0.41) PREPTGM2DPP4POLBCYP3A4
SCHEMBL2709456 0.78 DPP4 (0.55) PREPDPP4ALDH1A1L3MBTL1
SCHEMBL2708987 0.77 DPP4 (0.42) PREPDPP4CYP3A4
SCHEMBL2709078 0.77 DPP4 (0.59) PREPDPP4ALDH1A1L3MBTL1
SCHEMBL2710791 0.76 GPR119 (0.44) PREPDPP4ALDH1A1L3MBTL1
SCHEMBL2711952 0.76 DPP4 (0.57) PREPDPP4ALDH1A1L3MBTL1
SCHEMBL2708829 0.75 DPP4 (0.41) PREPTGM2DPP4HSD17B10
SCHEMBL2708280 0.75 DPP4 (0.58) PREPDPP4ALDH1A1L3MBTL1

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
EP-1950199-B1 Proline derivatives and use thereof as drugs MITSUBISHI TANABE PHARMA CORP (JP) 2009-12-02 EP disclosed