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Sugi Predict / Compounds / SCHEMBL19508441

SCHEMBL19508441

SCHEMBL19508441

CCC1(C(=O)OCOC(=O)[C@@]2(N)[C@H]3[C@@H](C[C@H]2OCc2ccc(F)cc2)[C@]3(F)C(=O)O)CC2CCCC(C2)C1

nearest known ligand 0.61

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ GRM2 Q14416 5/20 0.54
▸ GRM3 Q14832 5/20 0.54

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
SCHEMBL19508369 0.89 GRM2 (0.52) GRM2GRM3
SCHEMBL19508639 0.89 GRM2 (0.52) GRM2GRM3
SCHEMBL20722219 0.85 GRM2 (0.58) GRM2GRM3
SCHEMBL20722257 0.82 GRM2 (0.56) GRM2GRM3
SCHEMBL20722265 0.82 GRM2 (0.56) GRM2GRM3
SCHEMBL20722259 0.81 GRM2 (0.61) GRM2GRM3
SCHEMBL19508494 0.81 GRM2 (0.48) GRM2GRM3
SCHEMBL19508370 0.80 GRM2 (0.59) GRM2GRM3
SCHEMBL20722256 0.80 GRM2 (0.58) GRM2GRM3
SCHEMBL20722230 0.80 GRM2 (0.58) 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
WO-2017183734-A1 PRODRUG OF AMINO ACID DERIVATIVE TAISHO PHARMACEUTICAL CO., LTD. (JP) 2017-10-26 — — WO disclosed