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Sugi Predict / Compounds / SCHEMBL7038458

SCHEMBL7038458

SCHEMBL7038458

N[C@@]1(C(=O)O)[C@H](O)CC2[C@H]1[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 3/20 0.55
▸ GRM3 Q14832 3/20 0.55

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
SCHEMBL6844830 1.00 GRM2 (0.55) GRM2GRM3
SCHEMBL16713408 1.00 GRM2 (0.55) GRM2GRM3
SCHEMBL1086889 1.00 GRM2 (0.55) GRM2GRM3
SCHEMBL753862 1.00 GRM2 (0.55) GRM2GRM3
SCHEMBL16713407 1.00 GRM2 (0.55) GRM2GRM3
SCHEMBL5089616 0.81 GRM2 (0.55) GRM2GRM3
SCHEMBL20731200 0.80 GRM2 (0.54) GRM2GRM3
SCHEMBL4968500 0.76 GRM2 (0.65) GRM2GRM3
SCHEMBL20731384 0.72 GRM2 (1.00) GRM2GRM3
SCHEMBL4964971 0.72 GRM2 (1.00) 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-1295865-A1 NOVEL DICARBOXYLIC ACID DERIVATIVES TAISHO PHARMACEUTICAL CO., LTD (JP) 2003-03-26 — — EP disclosed