SCHEMBL28025455

SCHEMBL28025455

CCC(=O)N1CCC(OC(=O)NC(C)(C)C)C1

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
PIK3CD O00329 13/20 0.39
EPHX2 P34913 2/20 0.38
LMNA P02545 1/20 0.38
PIK3R1 P27986 1/20 0.37

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
SCHEMBL29143876 0.91 EPHX2 (0.43) DPP4SMN1; SMN2EPHX2LMNA
SCHEMBL28014875 0.84 DPP4 (0.43) DPP4SMN1; SMN2PIK3CDLMNA
SCHEMBL27955404 0.80 SMN1; SMN2 (0.39) DPP4SMN1; SMN2PIK3CDEPHX2LMNA
SCHEMBL27756928 0.80 ALDH1A1 (0.51) DPP4SMN1; SMN2LMNA
SCHEMBL27962873 0.79 CHRM3 (0.41) DPP4SMN1; SMN2
SCHEMBL25450487 0.77 PIK3CD (0.42) PIK3CDEPHX2PIK3R1
SCHEMBL25247324 0.77 CHRM3 (0.46) DPP4SMN1; SMN2LMNA
SCHEMBL27704474 0.77 DPP4 (0.39) DPP4SMN1; SMN2LMNA
SCHEMBL28882149 0.77 CA2 (0.38) DPP4SMN1; SMN2LMNA
SCHEMBL28830382 0.76 DPP4 (0.37) DPP4SMN1; SMN2LMNA

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-104918940-A Purine inhibitors of human phosphatidylinositol 3-kinase MERCK SHARP & DOHME 2015-09-16 CN disclosed