SCHEMBL2649853

SCHEMBL2649853

COC(=O)/C(=C/C1CCCCC1)c1ccc(C2(C(F)(F)F)N=NN=N2)c(Cl)c1

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GCK P35557 4/20 0.32
TAS1R3 Q7RTX0 3/20 0.31
TAS1R1 Q7RTX1 3/20 0.31
PDK2 Q15119 1/20 0.31
CYP3A4 P08684 1/20 0.31
TAS1R2 Q8TE23 1/20 0.30

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
SCHEMBL2651265 0.88 CYP3A4 (0.31) PDK2CYP3A4
SCHEMBL2649681 0.87 GCK (0.34) GCKTAS1R3TAS1R1TAS1R2
SCHEMBL2650347 0.87 GCK (0.34) GCKTAS1R3TAS1R1TAS1R2
SCHEMBL2651148 0.86 GCK (0.35) GCKTAS1R3TAS1R1TAS1R2
SCHEMBL2650108 0.81 GCK (0.45) GCK
SCHEMBL2649950 0.78 TAS1R3 (0.34) TAS1R3TAS1R1CYP3A4TAS1R2
SCHEMBL2647437 0.78 TAS1R3 (0.47) TAS1R3TAS1R1CYP3A4TAS1R2
SCHEMBL2647434 0.78 TAS1R3 (0.47) TAS1R3TAS1R1CYP3A4TAS1R2
SCHEMBL2650928 0.77 TAS1R3 (0.32) TAS1R3TAS1R1TAS1R2
SCHEMBL2650469 0.75 GCK (0.32) GCKTAS1R3TAS1R1TAS1R2

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
EP-1311504-A1 TETRAZOLYL-PHENYL ACETAMIDE GLUCOKINASE ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2003-05-21 EP disclosed
WO-2002014312-A1 TETRAZOLYL-PHENYL ACETAMIDE GLUCOKINASE ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2002-02-21 WO disclosed