SCHEMBL5632086

SCHEMBL5632086

COc1ccc(CSC(C)(C)[C@@H](C(=O)N2CSC[C@H]2C(N)=O)N(C(=O)O)C(C)(C)C)cc1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 4/20 0.42
DPP7 Q9UHL4 3/20 0.42
EPHX1 P07099 1/20 0.35
ACE P12821 4/20 0.33
PPARG P37231 1/20 0.32
PPARA Q07869 1/20 0.32
CHRM2 P08172 1/20 0.32
CHRM1 P11229 1/20 0.32
CHRM3 P20309 1/20 0.32
IDO1 P14902 2/20 0.32
PREP P48147 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
FAP Q12884 1/20 0.31
DPP8 Q6V1X1 1/20 0.31
DPP9 Q86TI2 1/20 0.31
MMP2 P08253 1/20 0.31
MMP9 P14780 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
SCHEMBL5221846 0.83 DPP4 (0.43) DPP4DPP7EPHX1ACEPPARG
SCHEMBL5632087 0.77 DPP4 (0.37) DPP4DPP7EPHX1ACEPPARG
SCHEMBL14572688 0.71 DPP4 (0.70) DPP4DPP7FAPDPP8DPP9
Hydrochloric Acid SCHEMBL5224457 0.70 DPP4 (0.69) DPP4DPP7FAPDPP8DPP9
SCHEMBL5219023 0.68 DPP4 (0.52) DPP4DPP7PPARGPPARAFAP
SCHEMBL23997549 0.65 DPP4 (0.53) DPP4DPP7EPHX1ACEPPARG
SCHEMBL2036339 0.65 DPP4 (0.53) DPP4DPP7EPHX1ACEPPARG
SCHEMBL6430514 0.65 DPP4 (0.53) DPP4DPP7EPHX1ACEPPARG
SCHEMBL12891267 0.65 EPHX1 (0.51) DPP4DPP7EPHX1ACEPPARG
SCHEMBL1254390 0.64 KMT2A (0.48) ALDH1A1

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
US-7196201-B2 Pyrrolidines as dipeptidyl peptidase inhibitors SMITHKLINE BEECHAM CORPORATION (US) 2007-03-27 US disclosed