Sugi Predict

Sugi Predict / Compounds / SCHEMBL23699451

SCHEMBL23699451

SCHEMBL23699451

C=CCOC(=O)N[C@]1(C(=O)O)[C@H]2C(C[C@H]1OCc1ccc(F)cc1)[C@]2(F)C(=O)O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ GRM2 Q14416 8/20 1.00
▸ GRM3 Q14832 8/20 1.00

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
SCHEMBL19508563 1.00 GRM2 (1.00) GRM2GRM3
SCHEMBL19508597 0.95 GRM2 (0.90) GRM2GRM3
SCHEMBL19508375 0.90 GRM2 (1.00) GRM2GRM3
SCHEMBL231038 0.88 GRM2 (0.80) GRM2GRM3
SCHEMBL19508444 0.85 GRM2 (0.90) GRM2GRM3
SCHEMBL19508650 0.81 GRM2 (0.69) GRM2GRM3
SCHEMBL19508651 0.81 GRM2 (0.68) GRM2GRM3
SCHEMBL19508600 0.81 GRM2 (1.00) GRM2GRM3
SCHEMBL29484697 0.81 GRM2 (1.00) GRM2GRM3
SCHEMBL20730972 0.77 GRM2 (0.63) 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
EP-3445743-B1 PRODRUG OF AMINO ACID DERIVATIVE TAISHO PHARMACEUTICAL CO LTD (JP) 2021-08-04 — — EP disclosed