SCHEMBL10074277

SCHEMBL10074277

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

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LAP3 P28838 3/20 0.45
ANPEP P15144 1/20 0.45
RNPEP Q9H4A4 1/20 0.45
DNPEP Q9ULA0 1/20 0.45
MMP2 P08253 4/20 0.38
METAP2 P50579 1/20 0.38
DPP4 P27487 2/20 0.37
DPP7 Q9UHL4 2/20 0.37
DPP9 Q86TI2 1/20 0.35
RAB9A P51151 1/20 0.35
RORC P51449 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
REN P00797 1/20 0.35

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
SCHEMBL10074160 0.88 DPP4 (0.36) LAP3ANPEPRNPEPDNPEPMMP2
SCHEMBL10074349 0.85 MMP2 (0.50) LAP3ANPEPRNPEPDNPEPMMP2
SCHEMBL10074145 0.85 MMP2 (0.50) LAP3ANPEPRNPEPDNPEPMMP2
SCHEMBL6873314 0.83 LAP3 (0.49) LAP3ANPEPRNPEPDNPEPMETAP2
SCHEMBL6873752 0.83 LAP3 (0.49) LAP3ANPEPRNPEPDNPEPMETAP2
SCHEMBL10078089 0.82 LAP3 (0.45) LAP3ANPEPRNPEPDNPEPMMP2
SCHEMBL10077078 0.82 LAP3 (0.45) LAP3ANPEPRNPEPDNPEPMMP2
SCHEMBL10074275 0.81 LAP3 (0.50) LAP3ANPEPRNPEPDNPEPMMP2
SCHEMBL6873883 0.81 LAP3 (0.51) LAP3ANPEPRNPEPDNPEPMETAP2
SCHEMBL10074155 0.80 LAP3 (0.46) LAP3ANPEPRNPEPDNPEPMETAP2

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