SCHEMBL10074491

SCHEMBL10074491

CC(C)(CNC(=O)C(O)C(N)Cc1ccccc1)CN[S+]([O-])CC(N)Cc1cc(F)ccc1F

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LAP3 P28838 2/20 0.41
ANPEP P15144 1/20 0.41
RNPEP Q9H4A4 1/20 0.41
DNPEP Q9ULA0 1/20 0.41
DPP4 P27487 12/20 0.37
DPP7 Q9UHL4 3/20 0.37
DPP9 Q86TI2 2/20 0.36
REN P00797 2/20 0.36
RORC P51449 1/20 0.35
KCNH2 Q12809 3/20 0.35
FAP Q12884 3/20 0.35
PREP P48147 1/20 0.35
DPP8 Q6V1X1 2/20 0.34
LTA4H P09960 1/20 0.34
METAP2 P50579 1/20 0.33

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
SCHEMBL6873681 0.85 LAP3 (0.44) LAP3ANPEPRNPEPDNPEPDPP4
SCHEMBL6873741 0.85 LAP3 (0.44) LAP3ANPEPRNPEPDNPEPDPP4
SCHEMBL6877799 0.85 LAP3 (0.44) LAP3ANPEPRNPEPDNPEPDPP4
SCHEMBL6874198 0.83 LAP3 (0.48) LAP3ANPEPRNPEPDNPEPDPP4
SCHEMBL10077380 0.82 LAP3 (0.42) LAP3ANPEPRNPEPDNPEPDPP4
SCHEMBL6873519 0.81 LAP3 (0.44) LAP3ANPEPRNPEPDNPEPDPP4
SCHEMBL6874066 0.81 LAP3 (0.44) LAP3ANPEPRNPEPDNPEPDPP4
SCHEMBL6872762 0.81 LAP3 (0.40) LAP3ANPEPRNPEPDNPEPDPP4
SCHEMBL10074277 0.79 LAP3 (0.45) LAP3ANPEPRNPEPDNPEPDPP4
SCHEMBL6874726 0.78 REN (0.41) DPP4DPP7DPP9RENKCNH2

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-2418196-A1 Dual alanyl-aminopeptidase and dipeptidyl-peptidase IV inhibitors IMTM GmbH (DE) 2012-02-15 EP disclosed