SCHEMBL25216092

SCHEMBL25216092

N=C(NCCCC(N)C(=O)O)NCC(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OTC P00480 1/20 0.50
DDAH1 O94760 2/20 0.43
GSR P00390 2/20 0.43
NOS2 P35228 3/20 0.41
NOS3 P29474 2/20 0.41
NOS1 P29475 2/20 0.41
PTGS1 P23219 1/20 0.41
GSTK1 Q9Y2Q3 1/20 0.41
CYP1A2 P05177 2/20 0.41
GRM8 O00222 1/20 0.41
GRM6 O15303 1/20 0.41
GRIN2D O15399 1/20 0.41
GRIN3B O60391 1/20 0.41
GRIK1 P39086 1/20 0.41
GRM5 P41594 1/20 0.41
GRIA1 P42261 1/20 0.41
GRIA2 P42262 1/20 0.41
GRIA3 P42263 1/20 0.41
SLC1A3 P43003 1/20 0.41
SLC1A2 P43004 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
SCHEMBL787839 1.00 OTC (0.50) OTCDDAH1GSRNOS2NOS3
SCHEMBL9974075 0.87 OTC (0.48) OTCDDAH1GSRNOS2NOS3
SCHEMBL13059111 0.85 OTC (0.51) OTCDDAH1GSRNOS2NOS3
SCHEMBL1004634 0.83 OTC (0.50) OTCDDAH1GSRNOS2NOS3
SCHEMBL21089975 0.83 OTC (0.50) OTCDDAH1GSRNOS2NOS3
SCHEMBL3508097 0.83 OTC (0.50) OTCDDAH1GSRNOS2NOS3
SCHEMBL24451312 0.83 OTC (0.50) OTCDDAH1GSRNOS2NOS3
SCHEMBL8730134 0.83 NOD1 (0.52) OTCDDAH1GSRNOS2NOS3
SCHEMBL12028765 0.83 OTC (0.50) OTCDDAH1GSRNOS2NOS3
SCHEMBL18532015 0.83 OTC (0.53) OTCDDAH1GSRNOS2NOS3

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
CN-117677839-A Method and device for detecting biological molecules 国立大学法人东京大学 2024-03-08 CN disclosed
WO-2023079366-A1 METHODS AND COMPOSITIONS FOR TREATING MICROGLIAL DYSFUNCTION AND IMPROVING METABOLIC DYSFUNCTION ULTIMATE MEDICINE AG (CH) 2023-05-11 WO disclosed