SCHEMBL8341890

SCHEMBL8341890

O=NC(=O)C1CCCCN1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 6/20 0.40
DPP8 Q6V1X1 4/20 0.40
DPP9 Q86TI2 4/20 0.40
NOS2 P35228 2/20 0.39
NOS3 P29474 1/20 0.39
NOS1 P29475 1/20 0.39
FDPS P14324 1/20 0.35
FAP Q12884 1/20 0.35
DPP7 Q9UHL4 1/20 0.35
PRCP P42785 1/20 0.34
HTR2C P28335 1/20 0.33
HTR2B P41595 1/20 0.33
SCN4A P35499 1/20 0.33
GLI1 P08151 1/20 0.32
MEN1 O00255 1/20 0.32
BLM P54132 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL15457829 0.93
SCHEMBL12020146 0.93
SCHEMBL6689415 0.93
SCHEMBL14161302 0.86
SCHEMBL7140789 0.79 DPP4 (0.38) DPP4DPP8DPP9NOS2NOS3
SCHEMBL10349526 0.77 DPP4 (0.50) DPP4DPP8DPP9NOS2NOS3
SCHEMBL27978195 0.77 DPP4 (0.50) DPP4DPP8DPP9NOS2NOS3
SCHEMBL28319166 0.77 DPP4 (0.50) DPP4DPP8DPP9NOS2NOS3
Pipecolic Acid SCHEMBL22694374 0.76 NOS2 (0.40) DPP4DPP8DPP9NOS2NOS3
Pipecolic Acid SCHEMBL28398960 0.76 NOS2 (0.40) DPP4DPP8DPP9NOS2NOS3

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-1999010374-A1 CYCLOSPORIN A CONJUGATES AND USES THEREFOR WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 1999-03-04 WO disclosed