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Sugi Predict / Compounds / SCHEMBL19508367

SCHEMBL19508367

SCHEMBL19508367

CC1C2CC3CC1CC(C(=O)O[C@H](C)OC(=O)[C@@]1(N)[C@H]4[C@@H](C[C@H]1OCc1ccc(F)cc1)[C@]4(F)C(=O)O)(C3)C2

nearest known ligand 0.61

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ GRM2 Q14416 5/20 0.53
▸ GRM3 Q14832 5/20 0.53

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
SCHEMBL19508564 0.94 GRM2 (0.58) GRM2GRM3
SCHEMBL20731963 0.94 GRM2 (0.58) GRM2GRM3
SCHEMBL20722235 0.94 GRM2 (0.58) GRM2GRM3
SCHEMBL22130905 0.94 GRM2 (0.58) GRM2GRM3
SCHEMBL19508640 0.90 GRM2 (0.52) GRM2GRM3
SCHEMBL20722262 0.87 GRM2 (0.68) GRM2GRM3
SCHEMBL19508383 0.85 GRM2 (0.53) GRM2GRM3
SCHEMBL19508382 0.85 GRM2 (0.53) GRM2GRM3
SCHEMBL20722260 0.85 GRM2 (0.68) GRM2GRM3
SCHEMBL20722213 0.84 GRM2 (0.69) 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