SCHEMBL4017766

SCHEMBL4017766

NB(O)OC(=O)CNC1CCNC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.48
FAP Q12884 1/20 0.48
DPP8 Q6V1X1 1/20 0.48
DPP9 Q86TI2 1/20 0.48
KCNH2 Q12809 1/20 0.42
KDM1A O60341 1/20 0.34
EPHX1 P07099 2/20 0.33
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 1/20 0.31
SLC6A3 Q01959 1/20 0.31
DPP7 Q9UHL4 1/20 0.31
SLC6A1 P30531 2/20 0.31
GABRA5 P31644 2/20 0.31
GABRB2 P47870 2/20 0.31
SLC6A12 P48065 2/20 0.31
SLC6A11 P48066 2/20 0.31
SLC6A13 Q9NSD5 2/20 0.31
POLB P06746 1/20 0.31
GABRA1 P14867 1/20 0.31
GABRR1 P24046 1/20 0.31

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
SCHEMBL27843519 0.80 DPP4 (0.42) DPP4FAPDPP8DPP9KCNH2
SCHEMBL14000057 0.75 KCNH2 (0.52) DPP4FAPDPP8DPP9KCNH2
SCHEMBL15084807 0.75 KCNH2 (0.52) DPP4FAPDPP8DPP9KCNH2
SCHEMBL13221611 0.75 KCNH2 (0.53) DPP4FAPDPP8DPP9KCNH2
SCHEMBL17874925 0.75 KCNH2 (0.53) DPP4FAPDPP8DPP9KCNH2
SCHEMBL4017764 0.74 DPP4 (0.52) DPP4FAPDPP8DPP9KCNH2
SCHEMBL6346898 0.74 KCNH2 (0.47) DPP4FAPDPP8DPP9KCNH2
SCHEMBL3297927 0.74 KCNH2 (0.47) DPP4FAPDPP8DPP9KCNH2
SCHEMBL852073 0.73 KCNH2 (0.53) DPP4FAPDPP8DPP9KCNH2
SCHEMBL11152918 0.72 KCNH2 (0.57) DPP4FAPDPP8DPP9KCNH2

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
WO-2009094462-A1 A CRYSTALLINE SYNTHETIC INTERMEDIATE FOR PYRROLIDIN-3-YL-GLYCYLAMINOALKYLBORONATES PHENOMIX CORPORATION (US) 2009-07-30 WO disclosed