SCHEMBL19178282

SCHEMBL19178282

CC(OC(=O)OC1CCCCCCC1)OC(=O)[C@H]1[C@@H]2C[C@H](F)[C@@](N)(OC(=O)O)[C@@H]21

nearest known ligand 0.32

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 2/20 0.32
GRM3 Q14832 2/20 0.32

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
SCHEMBL19177426 1.00 GRM2 (0.32) GRM2GRM3
SCHEMBL19177424 0.90 GRM2 (0.31) GRM2GRM3
SCHEMBL16610481 0.85 GRM2 (0.48) GRM2GRM3
SCHEMBL16610504 0.85 GRM2 (0.48) GRM2GRM3
SCHEMBL19177418 0.81 GRM2 (0.49) GRM2GRM3
SCHEMBL19177423 0.81 GRM2 (0.49) GRM2GRM3
SCHEMBL19177794 0.80 GRM2 (0.32) GRM2GRM3
SCHEMBL19177214 0.77 CYP17A1 (0.34) GRM2GRM3
SCHEMBL16610658 0.77 GRM2 (0.48) GRM2GRM3
SCHEMBL19177421 0.77 CYP17A1 (0.34) 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-2857385-B1 PRODRUG OF FLUORINE-CONTAINING AMINO ACID TAISHO PHARMACEUTICAL CO LTD (JP) 2017-08-02 EP claimed