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SCHEMBL9987186

SCHEMBL9987186

CN(C)C(=O)c1cnc(Oc2cc(OC3CCN(C)C3=O)cc(-c3nccc(=O)[nH]3)c2)cn1

nearest known ligand 0.75

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ GCK P35557 17/20 0.75
▸ HRH1 P35367 1/20 0.33
▸ HRH3 Q9Y5N1 1/20 0.33
▸ SCN9A Q15858 1/20 0.32
▸ GPR119 Q8TDV5 1/20 0.31

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
SCHEMBL9987189 0.88 GCK (0.72) GCKHRH1HRH3
SCHEMBL9987471 0.87 GCK (0.74) GCK
SCHEMBL9987615 0.86 GCK (0.73) GCK
SCHEMBL9987558 0.82 GCK (0.75) GCK
SCHEMBL2075157 0.82 GCK (0.49) GCKHRH1HRH3SCN9A
SCHEMBL2669545 0.81 GCK (0.49) GCKHRH1HRH3SCN9A
SCHEMBL2669552 0.81 GCK (0.49) GCKHRH1HRH3SCN9A
SCHEMBL12070280 0.81 GCK (0.78) GCK
SCHEMBL2074279 0.81 GCK (0.48) GCKHRH1HRH3SCN9A
SCHEMBL2657797 0.81 GCK (0.48) GCKHRH1HRH3SCN9A

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