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Sugi Predict / Compounds / SCHEMBL29484696

SCHEMBL29484696

SCHEMBL29484696

C=CCOC(=O)NC1(C(=O)O)C(OCCC)CC2C1C2(F)C(=O)O.CCCO[C@]12[C@H](CC[C@H]1C(=O)O)[C@H]2C(=O)O

nearest known ligand 0.76

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ GRM2 Q14416 4/20 0.76
▸ GRM3 Q14832 4/20 0.76

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
SCHEMBL19508600 0.87 GRM2 (1.00) GRM2GRM3
SCHEMBL29484697 0.87 GRM2 (1.00) GRM2GRM3
SCHEMBL19508384 0.82 GRM2 (0.89) GRM2GRM3
SCHEMBL23699451 0.70 GRM2 (1.00) GRM2GRM3
SCHEMBL19508563 0.70 GRM2 (1.00) GRM2GRM3
SCHEMBL19508375 0.68 GRM2 (1.00) GRM2GRM3
SCHEMBL231038 0.68 GRM2 (0.80) GRM2GRM3
SCHEMBL19508633 0.67 GRM2 (0.62) GRM2GRM3
SCHEMBL20730978 0.66 GRM2 (0.55) GRM2GRM3
SCHEMBL19508597 0.66 GRM2 (0.90) GRM2GRM3

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-109071418-B Prodrugs of amino acid derivatives 大正制药株式会社 2022-03-18 — — CN disclosed