SCHEMBL9818565

SCHEMBL9818565

CCCC(CNC(=N)N)C[C@H](N)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC1A1 P43005 7/20 0.49
SLC1A2 P43004 7/20 0.49
SLC1A3 P43003 6/20 0.49
GRIK1 P39086 4/20 0.49
GRIK2 Q13002 4/20 0.49
SLC7A5 Q01650 1/20 0.39
NOS1 P29475 2/20 0.36
NOS3 P29474 1/20 0.36
NOS2 P35228 1/20 0.36
GFPT1 Q06210 1/20 0.36
DDAH1 O94760 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
SCHEMBL9818606 0.87 SLC1A1 (0.46) SLC1A1SLC1A2SLC1A3GRIK1GRIK2
SCHEMBL27398633 0.79 NOS3 (0.30) NOS1NOS3NOS2
SCHEMBL10783477 0.79 SLC7A5 (0.41) SLC1A1SLC1A2SLC1A3GRIK1GRIK2
Hydrochloric Acid SCHEMBL31266856 0.78 ITGB3 (0.35)
SCHEMBL4586895 0.77 SLC7A5 (0.48) SLC1A1SLC1A2SLC1A3GRIK1GRIK2
SCHEMBL28729833 0.77 SLC7A5 (0.48) SLC1A1SLC1A2SLC1A3GRIK1GRIK2
SCHEMBL1504409 0.77 SLC7A5 (0.48) SLC1A1SLC1A2SLC1A3GRIK1GRIK2
SCHEMBL10667207 0.77 SLC7A5 (0.48) SLC1A1SLC1A2SLC1A3GRIK1GRIK2
SCHEMBL9800490 0.77 SLC7A5 (0.48) SLC1A1SLC1A2SLC1A3GRIK1GRIK2
SCHEMBL27644223 0.76 SLC7A5 (0.42) SLC1A1SLC1A2SLC1A3GRIK1GRIK2

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
US-5028627-A Controlling blood pressure during chemotherapy CORNELL RESEARCH FOUNDATION, INC. (US) 1991-07-02 US disclosed