SCHEMBL4782430

SCHEMBL4782430

N[C@@H](Cc1ccc(OCc2ccccn2)cc1)C(=O)N1CC[C@H](F)C1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 9/20 0.52
DPP7 Q9UHL4 7/20 0.49
FAP Q12884 1/20 0.49
DPP8 Q6V1X1 1/20 0.49
DPP9 Q86TI2 1/20 0.49
MAOB P27338 1/20 0.46
PARP10 Q53GL7 1/20 0.46
KCNH2 Q12809 2/20 0.44
HRH2 P25021 3/20 0.43
HRH1 P35367 3/20 0.43
HDAC8 Q9BY41 2/20 0.42
BTK Q06187 1/20 0.41
AKT1 P31749 1/20 0.41
AKT2 P31751 1/20 0.41
AKT3 Q9Y243 1/20 0.41

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
SCHEMBL4726741 0.77 DPP4 (0.75) DPP4DPP7FAPDPP8DPP9
SCHEMBL8216389 0.77 DPP4 (0.75) DPP4DPP7FAPDPP8DPP9
SCHEMBL4726743 0.77 DPP4 (0.75) DPP4DPP7FAPDPP8DPP9
SCHEMBL561829 0.77 MAOB (0.61) MAOBPARP10
SCHEMBL561827 0.77 MAOB (0.61) MAOBPARP10
SCHEMBL4801659 0.77 DPP4 (0.48) DPP4DPP7FAPDPP8DPP9
SCHEMBL8218015 0.77 DPP4 (0.48) DPP4DPP7FAPDPP8DPP9
SCHEMBL8216131 0.77 DPP4 (0.48) DPP4DPP7FAPDPP8DPP9
SCHEMBL8335153 0.76 DPP4 (0.82) DPP4DPP7FAPDPP8DPP9
SCHEMBL7371920 0.74 NPC1 (0.58) DPP4DPP7FAPDPP8DPP9

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