SCHEMBL2367718

SCHEMBL2367718

NC(CCCCNC(=O)Oc1ccc([N+](=O)[O-])cc1)C(=O)N1CCSC1

nearest known ligand 0.60

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 12/20 0.60
DPP7 Q9UHL4 7/20 0.60
DPP8 Q6V1X1 4/20 0.60
DPP9 Q86TI2 3/20 0.60
MGLL Q99685 2/20 0.52
FAAH O00519 1/20 0.39
TRPV1 Q8NER1 1/20 0.39
MMP2 P08253 1/20 0.38

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
SCHEMBL2850239 0.84 DPP4 (0.53) DPP4DPP7DPP8DPP9
SCHEMBL2850241 0.84 DPP4 (0.53) DPP4DPP7DPP8DPP9
SCHEMBL14392720 0.81 DPP4 (0.75) DPP4DPP7DPP8DPP9
SCHEMBL29989745 0.80 MGLL (0.65) DPP8DPP9MGLLFAAHTRPV1
SCHEMBL2847975 0.78 DPP4 (0.65) DPP4DPP7DPP8DPP9
SCHEMBL2847977 0.78 DPP4 (0.65) DPP4DPP7DPP8DPP9
SCHEMBL14558299 0.77 DPP4 (0.58) DPP4DPP7DPP8DPP9MGLL
SCHEMBL19412173 0.76 MGLL (0.84) MGLLFAAHTRPV1
SCHEMBL2855429 0.76 DPP7 (0.50) DPP4DPP7DPP8DPP9
SCHEMBL2367715 0.76 DPP4 (0.48) DPP4DPP7DPP8DPP9MMP2

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
EP-2366394-A1 Characterization and validation of inhibitors and ligands of dipeptidyl aminopeptidase IV (DP IV) IMTM GmbH (DE) 2011-09-21 EP claimed
EP-2366394-A1 Characterization and validation of inhibitors and ligands of dipeptidyl aminopeptidase IV (DP IV) IMTM GmbH (DE) 2011-09-21 EP disclosed