SCHEMBL9986891

SCHEMBL9986891

CN(C)C(=O)c1ncc(Oc2cc(OC3CCOC3)cc(-c3nccc(=O)[nH]3)c2)cn1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
GCK P35557 17/20 1.00
GRM5 P41594 3/20 0.39

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
SCHEMBL9987134 0.90 GCK (0.93) GCK
SCHEMBL9987418 0.89 GCK (1.00) GCKGRM5
SCHEMBL9987101 0.89 GCK (0.96) GCKGRM5
SCHEMBL9987558 0.86 GCK (0.75) GCKGRM5
SCHEMBL9988005 0.79 GCK (1.00) GCK
SCHEMBL9987069 0.79 GCK (0.65) GCK
SCHEMBL12070398 0.78 GCK (0.72) GCK
SCHEMBL9987175 0.77 GCK (1.00) GCK
SCHEMBL9986980 0.76 GCK (0.86) GCK
SCHEMBL9988014 0.76 GCK (0.86) GCK

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
WO-2011158149-A1 2-(3,5-DISUBSTITUTEDPHENYL)PYRIMIDIN-4(3H)-ONE DERIVATIVES PFIZER INC. (US) 2011-12-22 WO disclosed
WO-2011158149-A1 2-(3,5-DISUBSTITUTEDPHENYL)PYRIMIDIN-4(3H)-ONE DERIVATIVES PFIZER INC. (US) 2011-12-22 WO disclosed