SCHEMBL28971858

SCHEMBL28971858

CCCCCC(F)C(CCC[C@H](N)C(=O)O)NC(=O)OCC

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ NOD1 Q9Y239 14/20 0.48
▸ GRIK1 P39086 2/20 0.40
▸ GRIK2 Q13002 2/20 0.40
▸ SLC1A2 P43004 2/20 0.40
▸ SLC1A1 P43005 2/20 0.40
▸ MAPT P10636 1/20 0.38
▸ DDAH1 O94760 1/20 0.36
▸ GSR P00390 1/20 0.36
▸ SLC1A3 P43003 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
SCHEMBL38735 0.72 GRIK1 (0.68) NOD1GRIK1GRIK2SLC1A2SLC1A1
SCHEMBL2730539 0.72 GRIK1 (0.68) NOD1GRIK1GRIK2SLC1A2SLC1A1
SCHEMBL5967305 0.72 GRIK1 (0.68) NOD1GRIK1GRIK2SLC1A2SLC1A1
SCHEMBL10017793 0.71 DPP7 (0.46) NOD1GSR
SCHEMBL19966782 0.71 DPP7 (0.46) NOD1GSR
SCHEMBL1527353 0.71 GRIK1 (0.69) NOD1GRIK1GRIK2SLC1A2SLC1A1
SCHEMBL1960915 0.71 GRIK1 (0.69) NOD1GRIK1GRIK2SLC1A2SLC1A1
SCHEMBL5048329 0.71 GRIK1 (0.69) NOD1GRIK1GRIK2SLC1A2SLC1A1
SCHEMBL1738925 0.71 GRIK1 (0.69) NOD1GRIK1GRIK2SLC1A2SLC1A1
SCHEMBL3689310 0.71 GRIK1 (0.69) NOD1GRIK1GRIK2SLC1A2SLC1A1

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
CN-115697383-A Methods of treating viral infections and health problems 艾伦·戴维多夫 2023-02-03 — — CN disclosed
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