SCHEMBL8218015

SCHEMBL8218015

NC(Cc1ccc(Oc2ncccc2[N+](=O)[O-])cc1)C(=O)N1CC[C@H](F)C1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 10/20 0.48
LTA4H P09960 1/20 0.48
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
ATM Q13315 1/20 0.47
ALDH1A1 P00352 5/20 0.46
MAPT P10636 1/20 0.46
MAPK1 P28482 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
DPP7 Q9UHL4 8/20 0.44
FAP Q12884 4/20 0.42
DPP8 Q6V1X1 4/20 0.42
DPP9 Q86TI2 4/20 0.42
BTK Q06187 2/20 0.39
CRHBP P24387 1/20 0.39
CRHR2 Q13324 1/20 0.39
KCNH2 Q12809 2/20 0.38

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
SCHEMBL4801659 1.00 DPP4 (0.48) DPP4LTA4HNPC1RAB9AMEN1
Hydrochloric Acid SCHEMBL4728792 0.90 LTA4H (0.47) DPP4LTA4HNPC1RAB9AMEN1
SCHEMBL8216131 0.84 DPP4 (0.48) DPP4DPP7FAPDPP8DPP9
SCHEMBL4781929 0.82 DPP4 (0.48) DPP4LTA4HNPC1RAB9AMEN1
SCHEMBL8219658 0.82 DPP4 (0.48) DPP4LTA4HNPC1RAB9AMEN1
SCHEMBL8216166 0.80 DPP4 (0.43) DPP4LTA4HALDH1A1DPP7FAP
SCHEMBL4782430 0.77 DPP4 (0.52) DPP4DPP7FAPDPP8DPP9
SCHEMBL4782189 0.76 DPP4 (0.49) DPP4LTA4HNPC1RAB9AMEN1
SCHEMBL8213925 0.76 DPP4 (0.49) DPP4LTA4HNPC1RAB9AMEN1
Hydrochloric Acid SCHEMBL6491094 0.75 MEN1 (0.59) LTA4HNPC1RAB9AMEN1KMT2A

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-2008029217-A2 DIPEPTIDYL PEPTIDASE IV INHIBITORS ORCHID RESEARCH LABORATORIES LIMITED (IN) 2008-03-13 WO disclosed