SCHEMBL2650706

SCHEMBL2650706

CC1(c2ccc(/C(=C\C3CCCC3)C(=O)O)cc2C(F)(F)F)N=NN=N1

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 2/20 0.34
TAS1R1 Q7RTX1 2/20 0.34
TAS1R2 Q8TE23 2/20 0.34
CYP3A4 P08684 1/20 0.33
ADCY8 P40145 1/20 0.32
ADCY1 Q08828 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
SCHEMBL2649950 0.89 TAS1R3 (0.34) TAS1R3TAS1R1TAS1R2CYP3A4ADCY8
SCHEMBL2650716 0.86 RARA (0.34) TAS1R3TAS1R1TAS1R2
SCHEMBL2651002 0.85 TAS1R3 (0.32) TAS1R3TAS1R1TAS1R2ADCY8ADCY1
SCHEMBL2650348 0.85 TAS1R3 (0.32) TAS1R3TAS1R1TAS1R2ADCY8ADCY1
SCHEMBL2650025 0.84 GCK (0.33) TAS1R3TAS1R1TAS1R2
SCHEMBL2650469 0.84 GCK (0.32) TAS1R3TAS1R1TAS1R2
SCHEMBL2650318 0.84 GCK (0.32) TAS1R3TAS1R1TAS1R2
SCHEMBL2648958 0.82 GCK (0.48)
SCHEMBL2650499 0.81 GCK (0.35)
SCHEMBL2652542 0.76 EPHX2 (0.34) TAS1R3TAS1R1TAS1R2ADCY8ADCY1

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