SCHEMBL9987558

SCHEMBL9987558

CN(C)C(=O)c1cnc(Oc2cc(OC3CCOC3)cc(-c3nccc(=O)[nH]3)c2)cn1

nearest known ligand 0.75

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GCK P35557 14/20 0.75
ACACB O00763 1/20 0.38
GRM5 P41594 4/20 0.36
SYK P43405 1/20 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
SCHEMBL9987471 0.91 GCK (0.74) GCKSYK
SCHEMBL9987615 0.89 GCK (0.73) GCKACACBGRM5
SCHEMBL9987189 0.89 GCK (0.72) GCKACACBGRM5
SCHEMBL9986891 0.86 GCK (1.00) GCKGRM5
SCHEMBL9987186 0.82 GCK (0.75) GCK
SCHEMBL2085692 0.81 GCK (0.51) GCKACACBGRM5
SCHEMBL2653492 0.81 GCK (0.51) GCKACACBGRM5
SCHEMBL12070280 0.81 GCK (0.78) GCK
SCHEMBL9987113 0.80 GCK (1.00) GCK
SCHEMBL9987109 0.78 GCK (0.82) 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