SCHEMBL5632087

SCHEMBL5632087

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

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.37
DPP7 Q9UHL4 1/20 0.37
ACE P12821 4/20 0.35
PPARG P37231 1/20 0.34
PPARA Q07869 1/20 0.34
EPHX1 P07099 1/20 0.33
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
MMP2 P08253 1/20 0.32
MMP9 P14780 1/20 0.32
MAOB P27338 1/20 0.31
PREP P48147 1/20 0.30
CA2 P00918 1/20 0.30
BIRC2 Q13490 1/20 0.30
IDO1 P14902 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
SCHEMBL5221846 0.90 DPP4 (0.43) DPP4DPP7ACEPPARGPPARA
SCHEMBL5632086 0.77 DPP4 (0.42) DPP4DPP7ACEPPARGPPARA
SCHEMBL5219023 0.75 DPP4 (0.52) DPP4DPP7PPARGPPARA
SCHEMBL1254391 0.66 KMT2A (0.48) ALDH1A1LMNA
SCHEMBL14572688 0.66 DPP4 (0.70) DPP4DPP7
SCHEMBL5220123 0.66 DPP4 (0.61) DPP4DPP7PREP
Hydrochloric Acid SCHEMBL5224457 0.65 DPP4 (0.69) DPP4DPP7
SCHEMBL6828636 0.64 DPP4 (0.75) DPP4DPP7
SCHEMBL3150545 0.64 DPP4 (0.75) DPP4DPP7
SCHEMBL5711277 0.63 CAPN1 (0.48) DPP4ACEALDH1A1PREP

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