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Sugi Predict / Compounds / SCHEMBL5802160

SCHEMBL5802160

SCHEMBL5802160

CC(C)(C)OC(=O)N1CCN(C(=O)OCC2c3ccccc3-c3ccccc32)C(C(=O)O)C1.CC(C)(C)OC(=O)N1CCNC(c2nc(-c3cccc(Cl)c3)no2)C1

nearest known ligand 0.39

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ GRM5 P41594 16/20 0.39
▸ KCNH2 Q12809 1/20 0.39
▸ HSD11B1 P28845 1/20 0.38
▸ USP30 Q70CQ3 1/20 0.37

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
SCHEMBL5485886 0.85 GRM5 (0.52) GRM5
SCHEMBL31173423 0.79 FAAH (0.48) HSD11B1USP30
SCHEMBL29695390 0.78 BACE1 (0.47) USP30
SCHEMBL5190569 0.78 BACE1 (0.47) USP30
SCHEMBL7725852 0.78 BACE1 (0.47) USP30
SCHEMBL31210309 0.78 BACE1 (0.47) USP30
SCHEMBL30185798 0.78 BACE1 (0.47) USP30
SCHEMBL31740710 0.74 BACE1 (0.45) —
SCHEMBL7054647 0.74 BACE1 (0.45) —
SCHEMBL13837003 0.74 BACE1 (0.45) —

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1716143-A1 POLYHETEROCYCLIC COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS AstraZeneca AB (SE) 2006-11-02 — — EP disclosed
WO-2005080386-A1 POLYHETEROCYCLIC COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS ASTRAZENECA AB (US) 2005-09-01 — — WO disclosed