SCHEMBL7294359

SCHEMBL7294359

NCCC[C@H](NC(=O)OCc1ccccc1)C(=O)N1CCCC1

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 3/20 0.58
DPP8 Q6V1X1 2/20 0.58
TGM2 P21980 14/20 0.56
F13A1 P00488 2/20 0.55
TGM1 P22735 2/20 0.55
PRSS1 P07477 1/20 0.53
PRSS2 P07478 1/20 0.53
PRSS3 P35030 1/20 0.53
TPSAB1 Q15661 1/20 0.53
TGM6 O95932 1/20 0.53
DPP7 Q9UHL4 2/20 0.53
KCNH2 Q12809 1/20 0.53

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
Hydrochloric Acid SCHEMBL6767096 0.99 DPP4 (0.58) DPP4DPP8TGM2F13A1TGM1
SCHEMBL6824003 0.92 DPP4 (0.53) DPP4DPP8TGM2F13A1TGM1
SCHEMBL6823999 0.92 DPP4 (0.53) DPP4DPP8TGM2F13A1TGM1
SCHEMBL30054191 0.87 CTSL (0.56) DPP4TGM2F13A1TGM1DPP7
SCHEMBL6793150 0.87 DPP4 (0.58) DPP4TGM2F13A1TGM1DPP7
SCHEMBL9197198 0.85 DPP4 (0.52) DPP4TGM2F13A1TGM1DPP7
SCHEMBL15630554 0.84 TGM2 (0.73) DPP4DPP8TGM2F13A1TGM1
SCHEMBL15920174 0.84 TGM2 (0.53) DPP4DPP8TGM2F13A1TGM1
SCHEMBL25185922 0.83 CASP1 (0.59) DPP4DPP7KCNH2
SCHEMBL2856646 0.83 DPP4 (0.64) DPP4DPP8TGM2F13A1TGM1

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-1245568-A1 Sulfonyl derivatives of amino acids and their use as inhibitors of dipeptidyl-peptidase IV (DPP IV) Les Laboratoires Servier (FR) 2002-10-02 EP disclosed