SCHEMBL14558299

SCHEMBL14558299

N[C@@H](CCCNC(=O)Oc1cccnc1)C(=O)N1CCSC1

nearest known ligand 0.58

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 12/20 0.58
DPP7 Q9UHL4 6/20 0.58
DPP8 Q6V1X1 3/20 0.58
DPP9 Q86TI2 2/20 0.58
MGLL Q99685 2/20 0.44
FAAH O00519 1/20 0.40

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
SCHEMBL2367718 0.77 DPP4 (0.60) DPP4DPP7DPP8DPP9MGLL
SCHEMBL14558294 0.77 DPP4 (0.51) DPP4DPP7DPP8DPP9
SCHEMBL14558297 0.74 DPP4 (0.52) DPP4DPP7DPP8DPP9
SCHEMBL2367694 0.71 DPP4 (0.55) DPP4DPP7DPP8DPP9
SCHEMBL2859760 0.70 DPP4 (0.58) DPP4DPP7DPP8DPP9
SCHEMBL2859755 0.70 DPP4 (0.58) DPP4DPP7DPP8DPP9
SCHEMBL2859625 0.70 DPP7 (0.69) DPP4DPP7DPP8DPP9
SCHEMBL2859627 0.70 DPP7 (0.69) DPP4DPP7DPP8DPP9
SCHEMBL27802853 0.70 FAAH (0.67) MGLLFAAH
SCHEMBL2859960 0.69 DPP4 (0.51) DPP4DPP7DPP8DPP9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7189728-B2 Inhibitors of dipeptidyl peptidase IV FERRING, BV (NL) 2007-03-13 US disclosed
US-7189728-B2 Inhibitors of dipeptidyl peptidase IV FERRING, BV (NL) 2007-03-13 US disclosed