SCHEMBL20107156

SCHEMBL20107156

CC(C[C@H](N)C(=O)O)CN(C)C(=N)N

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 2/20 0.54
NOS1 P29475 2/20 0.54
NOS2 P35228 2/20 0.54
SLC7A5 Q01650 1/20 0.47
SLC1A3 P43003 6/20 0.43
SLC1A2 P43004 6/20 0.43
SLC1A1 P43005 6/20 0.43
GRIK1 P39086 5/20 0.37
GRIK2 Q13002 3/20 0.37
GRIA2 P42262 2/20 0.35
GRIA4 P48058 2/20 0.35
GRIK3 Q13003 2/20 0.35
GRIK5 Q16478 2/20 0.35
GRIA1 P42261 1/20 0.35
DPP7 Q9UHL4 1/20 0.35

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
Leucine SCHEMBL22800507 0.76 SLC7A5 (0.56) NOS3NOS1NOS2SLC7A5SLC1A3
Leucine SCHEMBL22800503 0.74 SLC7A5 (0.55) NOS3NOS1NOS2SLC7A5SLC1A3
Creatine SCHEMBL18862867 0.72 NOS3 (0.54) NOS3NOS1NOS2SLC7A5SLC1A3
Creatine SCHEMBL18862868 0.72 NOS3 (0.54) NOS3NOS1NOS2SLC7A5SLC1A3
Leucine SCHEMBL28204697 0.71 SLC7A5 (0.82) NOS3NOS1NOS2SLC7A5SLC1A3
SCHEMBL10667207 0.70 SLC7A5 (0.48) NOS3NOS1NOS2SLC7A5SLC1A3
SCHEMBL4586895 0.70 SLC7A5 (0.48) NOS3NOS1NOS2SLC7A5SLC1A3
SCHEMBL1504409 0.70 SLC7A5 (0.48) NOS3NOS1NOS2SLC7A5SLC1A3
SCHEMBL28729833 0.70 SLC7A5 (0.48) NOS3NOS1NOS2SLC7A5SLC1A3
SCHEMBL9800490 0.70 SLC7A5 (0.48) NOS3NOS1NOS2SLC7A5SLC1A3

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-2018081303-A1 METHOD AND COMPOSITION FOR RETAINING NUTRIENTS IN SOIL AT PLANTING SITES WATERSCIENCE, INC. (US) 2018-05-03 WO disclosed