SCHEMBL29951736

SCHEMBL29951736

N[C@H](CNCCO)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS1 P23219 1/20 0.41
▸ SLC7A11 Q9UPY5 1/20 0.41
▸ SLC1A1 P43005 3/20 0.40
▸ GSR P00390 2/20 0.38
▸ GRIK1 P39086 2/20 0.38
▸ GRIK2 Q13002 2/20 0.38
▸ GRM1 Q13255 2/20 0.38
▸ GRM2 Q14416 2/20 0.38
▸ SLC1A3 P43003 2/20 0.38
▸ SLC1A2 P43004 2/20 0.38
▸ SLC7A5 Q01650 1/20 0.38
▸ GRM8 O00222 1/20 0.38
▸ GRM6 O15303 1/20 0.38
▸ GRIN2D O15399 1/20 0.38
▸ GRIN3B O60391 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ GRM5 P41594 1/20 0.38
▸ GRIA1 P42261 1/20 0.38
▸ GRIA2 P42262 1/20 0.38
▸ GRIA3 P42263 1/20 0.38

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
SCHEMBL28766763 1.00 PTGS1 (0.41) PTGS1SLC7A11SLC1A1GSRGRIK1
SCHEMBL28766764 1.00 PTGS1 (0.41) PTGS1SLC7A11SLC1A1GSRGRIK1
SCHEMBL17434128 0.83 PTGS1 (0.50) PTGS1SLC7A11SLC1A1GSRGRIK1
SCHEMBL7270272 0.82 GSR (0.50) PTGS1SLC7A11SLC1A1GSRGRIK1
SCHEMBL5576905 0.82 GSR (0.50) PTGS1SLC7A11SLC1A1GSRGRIK1
SCHEMBL8892460 0.82 GSR (0.48) PTGS1SLC7A11SLC1A1GSRGRIK1
SCHEMBL12643504 0.82 GSR (0.50) PTGS1SLC7A11SLC1A1GSRGRIK1
SCHEMBL8892468 0.82 GSR (0.48) PTGS1SLC7A11SLC1A1GSRGRIK1
SCHEMBL8422226 0.81 — —
SCHEMBL14218149 0.80 ANPEP (0.52) PTGS1SLC7A11SLC1A1GRIK1GRIK2

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-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 — — US disclosed
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