SCHEMBL9987101

SCHEMBL9987101

CN(C)C(=O)c1ncc(Oc2cc(OC3CCC3)cc(-c3nccc(=O)[nH]3)c2)cn1

nearest known ligand 0.96

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
GCK P35557 15/20 0.96
GRM5 P41594 3/20 0.35

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
SCHEMBL9987418 0.98 GCK (1.00) GCKGRM5
SCHEMBL9987134 0.96 GCK (0.93) GCK
SCHEMBL9986891 0.89 GCK (1.00) GCKGRM5
SCHEMBL9987189 0.85 GCK (0.72) GCKGRM5
SCHEMBL12070398 0.84 GCK (0.72) GCK
SCHEMBL9987615 0.83 GCK (0.73) GCKGRM5
SCHEMBL9988005 0.83 GCK (1.00) GCK
SCHEMBL9987471 0.81 GCK (0.74) GCK
SCHEMBL9987175 0.80 GCK (1.00) GCK
SCHEMBL9988014 0.80 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 3 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 claimed
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