SCHEMBL6679094

SCHEMBL6679094

CC(C)CC(N)C(=O)N1CCCC1C(=O)N1CCCC1C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.58
DPP8 Q6V1X1 1/20 0.58
DPP9 Q86TI2 1/20 0.58
DPP7 Q9UHL4 1/20 0.58
ACE P12821 8/20 0.55
XPNPEP2 O43895 2/20 0.55
REN P00797 4/20 0.55
KDM4E B2RXH2 1/20 0.55
F2 P00734 1/20 0.55
LMNA P02545 1/20 0.55
LTA4H P09960 1/20 0.55
MAPT P10636 1/20 0.55
PEPD P12955 1/20 0.55
ALOX15 P16050 1/20 0.55
PTGS1 P23219 1/20 0.55
HTR2A P28223 1/20 0.55
PTGS2 P35354 1/20 0.55
HRH1 P35367 1/20 0.55
THPO P40225 1/20 0.55
PMP22 Q01453 1/20 0.55

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
SCHEMBL6679097 1.00 DPP4 (0.58) DPP4DPP8DPP9DPP7ACE
SCHEMBL30729290 0.94 DPP4 (0.63) DPP4DPP8DPP9DPP7ACE
SCHEMBL30567640 0.94 DPP4 (0.63) DPP4DPP8DPP9DPP7ACE
SCHEMBL3052901 0.94 DPP4 (0.63) DPP4DPP8DPP9DPP7ACE
SCHEMBL3052903 0.94 DPP4 (0.63) DPP4DPP8DPP9DPP7ACE
SCHEMBL11591710 0.94 DPP4 (0.63) DPP4DPP8DPP9DPP7ACE
Trifluoroacetic Acid SCHEMBL29802195 0.87 DPP4 (0.55) DPP4DPP8DPP9DPP7ACE
SCHEMBL30069057 0.87 DPP4 (0.50) DPP4DPP8DPP9DPP7ACE
SCHEMBL15371247 0.86 ACE (0.57) DPP4DPP8DPP9DPP7ACE
SCHEMBL31514391 0.86 ACE (0.54) DPP4DPP8DPP9DPP7ACE

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-1476746-A2 METHOD FOR DISCOVERING PHARMACOLOGICALLY ACTIVE SUBSTANCES Paion GmbH (DE) 2004-11-17 EP disclosed
WO-2003071268-A2 METHOD FOR DISCOVERING PHARMACOLOGICALLY ACTIVE SUBSTANCES PAION GMBH (DE) 2003-08-28 WO disclosed