SCHEMBL22798147

SCHEMBL22798147

CC(C)C(N)C(=O)N1CCCC[C@H]1C(=O)O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 6/20 0.55
ACE P12821 6/20 0.55
DPP7 Q9UHL4 5/20 0.55
FAP Q12884 3/20 0.55
DPP8 Q6V1X1 3/20 0.55
REN P00797 3/20 0.55
PREP P48147 2/20 0.55
DPP9 Q86TI2 2/20 0.55
PITRM1 Q5JRX3 1/20 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

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
SCHEMBL22798144 1.00 DPP4 (0.55) DPP4ACEDPP7FAPDPP8
SCHEMBL8212654 0.95 DPP4 (0.60) DPP4ACEDPP7FAPDPP8
SCHEMBL1647354 0.95 DPP4 (0.60) DPP4ACEDPP7FAPDPP8
SCHEMBL30729305 0.95 DPP4 (0.60) DPP4ACEDPP7FAPDPP8
SCHEMBL571628 0.95 DPP4 (0.60) DPP4ACEDPP7FAPDPP8
SCHEMBL30729255 0.95 DPP4 (0.60) DPP4ACEDPP7FAPDPP8
SCHEMBL25280669 0.89 DPP4 (0.55) DPP4ACEDPP7FAPDPP8
SCHEMBL1644891 0.89 DPP4 (0.55) DPP4ACEDPP7FAPDPP8
SCHEMBL1644894 0.89 DPP4 (0.55) DPP4ACEDPP7FAPDPP8
SCHEMBL31733880 0.89 DPP4 (0.55) DPP4ACEDPP7FAPDPP8

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-3341007-B1 MALT1 INHIBITORS AND USES THEREOF UNIV CORNELL (US) 2020-12-23 EP disclosed