Sugi Predict

Sugi Predict / Compounds / SCHEMBL5961901

SCHEMBL5961901

SCHEMBL5961901

CCOC(=O)[C@]1(NC(=O)OC(C)(C)C)[C@@H](OS(=O)(=O)C(F)(F)F)CC2[C@H]1[C@@]2(F)C(=O)OCC

nearest known ligand 0.38

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ GRM2 Q14416 3/20 0.38
▸ GRM3 Q14832 3/20 0.38

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
SCHEMBL14932105 1.00 GRM2 (0.38) GRM2GRM3
SCHEMBL232600 1.00 GRM2 (0.38) GRM2GRM3
SCHEMBL231802 0.81 GRM2 (0.36) GRM2GRM3
SCHEMBL14931828 0.81 GRM2 (0.36) GRM2GRM3
SCHEMBL232862 0.80 GRM2 (0.35) GRM2GRM3
SCHEMBL6012170 0.73 MEN1 (0.32) —
SCHEMBL3179619 0.73 MEN1 (0.32) —
SCHEMBL296096 0.73 MEN1 (0.32) —
SCHEMBL23833792 0.70 MEN1 (0.31) —
SCHEMBL30198872 0.70 MEN1 (0.31) —

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-1637517-A1 2-AMINOBICYCLO 3.1.0 HEXANE-2,6-DICARBOXYLIC ESTER DERIVATIVE Taisho Pharmaceutical Co. Ltd. (JP) 2006-03-22 — — EP disclosed