SCHEMBL6824003

SCHEMBL6824003

NCC[C@H](NC(=O)OCc1ccccc1)C(=O)N1CCCCC1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 3/20 0.53
KCNH2 Q12809 1/20 0.53
DPP7 Q9UHL4 1/20 0.53
TGM2 P21980 13/20 0.52
DPP8 Q6V1X1 1/20 0.52
CTSL P07711 2/20 0.51
CTSK P43235 2/20 0.51
CTSS P25774 1/20 0.51
F13A1 P00488 2/20 0.51
TGM1 P22735 2/20 0.51
TGM6 O95932 1/20 0.49

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
SCHEMBL6823999 1.00 DPP4 (0.53) DPP4KCNH2DPP7TGM2DPP8
SCHEMBL7294359 0.92 DPP4 (0.58) DPP4KCNH2DPP7TGM2DPP8
Hydrochloric Acid SCHEMBL6767096 0.91 DPP4 (0.58) DPP4KCNH2DPP7TGM2DPP8
SCHEMBL6793150 0.91 DPP4 (0.58) DPP4KCNH2DPP7TGM2CTSL
SCHEMBL9197198 0.89 DPP4 (0.52) DPP4KCNH2DPP7TGM2CTSL
SCHEMBL30054191 0.88 CTSL (0.56) DPP4KCNH2DPP7TGM2CTSL
SCHEMBL9003099 0.86 CASP1 (0.58) DPP4KCNH2DPP7CTSK
SCHEMBL9003092 0.86 CASP1 (0.58) DPP4KCNH2DPP7CTSK
SCHEMBL7145146 0.86 CASP1 (0.58) DPP4KCNH2DPP7CTSK
SCHEMBL7145151 0.86 CASP1 (0.58) DPP4KCNH2DPP7CTSK

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2004076434-A1 DIPEPTIDYL PEPTIDASE INHIBITORS AIC (BE) 2004-09-10 WO claimed
WO-2004076433-A1 DIPEPTIDYL PEPTIDASE INHIBITORS AIC (BE) 2004-09-10 WO claimed
WO-2004076434-A1 DIPEPTIDYL PEPTIDASE INHIBITORS AIC (BE) 2004-09-10 WO disclosed