SCHEMBL9987189

SCHEMBL9987189

CN(C)C(=O)c1cnc(Oc2cc(OC3CCC3)cc(-c3nccc(=O)[nH]3)c2)cn1

nearest known ligand 0.72

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GCK P35557 15/20 0.72
HRH1 P35367 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
ACACB O00763 1/20 0.32
ACACA Q13085 1/20 0.32
GRM5 P41594 1/20 0.32

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
SCHEMBL9987615 0.98 GCK (0.73) GCKACACBACACAGRM5
SCHEMBL9987471 0.96 GCK (0.74) GCK
SCHEMBL9987558 0.89 GCK (0.75) GCKACACBGRM5
SCHEMBL9987186 0.88 GCK (0.75) GCKHRH1HRH3
SCHEMBL9987101 0.85 GCK (0.96) GCKGRM5
SCHEMBL12070280 0.84 GCK (0.78) GCK
SCHEMBL9987113 0.84 GCK (1.00) GCK
SCHEMBL9987418 0.83 GCK (1.00) GCKGRM5
SCHEMBL9987109 0.81 GCK (0.82) GCK
SCHEMBL9987134 0.81 GCK (0.93) 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