SCHEMBL4090766

SCHEMBL4090766

CC(=CC(N)CCCN)C(N)=O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSR P00390 1/20 0.35
PAOX Q6QHF9 3/20 0.33
CPB2 Q96IY4 2/20 0.33
DPP4 P27487 1/20 0.31
DPP8 Q6V1X1 1/20 0.31
DPP9 Q86TI2 1/20 0.31
DPP7 Q9UHL4 1/20 0.31
RNPEP Q9H4A4 1/20 0.31
MEN1 O00255 1/20 0.30
NOS3 P29474 1/20 0.30
NOS1 P29475 1/20 0.30
CYP2C19 P33261 1/20 0.30
NOS2 P35228 1/20 0.30
KMT2A Q03164 1/20 0.30
GRIN2D O15399 1/20 0.30
GRIN3B O60391 1/20 0.30
GRIN1 Q05586 1/20 0.30
GRIN2A Q12879 1/20 0.30
GRIN2B Q13224 1/20 0.30
GRIN2C Q14957 1/20 0.30

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
SCHEMBL3508071 0.83 LAP3 (0.40) DPP7
SCHEMBL6530950 0.80 GRIK1 (0.34) CYP2C19GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL6513873 0.80 GRIK1 (0.34) CYP2C19GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL19149237 0.76 NOS3 (0.31) NOS3NOS1NOS2
SCHEMBL19149235 0.76 NOS3 (0.31) NOS3NOS1NOS2
SCHEMBL116655 0.75 KDM4E (0.33) CYP2C19
SCHEMBL819568 0.75 KDM4E (0.33) CYP2C19
SCHEMBL27623603 0.74 GSR (0.38) GSRPAOXCPB2DPP8DPP9
Hydrochloric Acid SCHEMBL321069 0.74 KDM4E (0.32)
Hydrochloric Acid SCHEMBL3491596 0.74 KDM4E (0.32)

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
US-20090076241-A1 BIOMIMETIC COMPOUNDS AND SYNTHETIC METHODS THEREFOR NERITES CORPORATION 2009-03-19 US disclosed
US-20080171836-A1 BIOMIMETIC COMPOUNDS AND SYNTHETIC METHODS THEREFOR KENSEY NASH CORPORATION 2008-07-17 US disclosed