SCHEMBL2651002

SCHEMBL2651002

CC1(c2ccc(C(=CCC3CCCC3)C(=O)O)cc2C(F)(F)F)N=NN=N1

nearest known ligand 0.32

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 2/20 0.32
TAS1R1 Q7RTX1 2/20 0.32
TAS1R2 Q8TE23 2/20 0.32
RXRA P19793 1/20 0.31
HNF4A P41235 1/20 0.31
ADCY8 P40145 1/20 0.31
ADCY1 Q08828 1/20 0.31
PTGS1 P23219 1/20 0.30
PTGS2 P35354 1/20 0.30
TRPM8 Q7Z2W7 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
SCHEMBL2650348 1.00 TAS1R3 (0.32) TAS1R3TAS1R1TAS1R2RXRAHNF4A
SCHEMBL2652542 0.89 EPHX2 (0.34) TAS1R3TAS1R1TAS1R2RXRAHNF4A
SCHEMBL2650706 0.85 TAS1R3 (0.34) TAS1R3TAS1R1TAS1R2ADCY8ADCY1
SCHEMBL2646524 0.77 AKR1C3 (0.36) TAS1R3TAS1R1TAS1R2
SCHEMBL2646527 0.77 AKR1C3 (0.36) TAS1R3TAS1R1TAS1R2
SCHEMBL2649950 0.76 TAS1R3 (0.34) TAS1R3TAS1R1TAS1R2ADCY8ADCY1
SCHEMBL6175131 0.73 NOTUM (0.35) TAS1R3TAS1R1TAS1R2ADCY8ADCY1
SCHEMBL6175122 0.73 NOTUM (0.35) TAS1R3TAS1R1TAS1R2ADCY8ADCY1
SCHEMBL2645855 0.71 TAS1R3 (0.42) TAS1R3TAS1R1TAS1R2
SCHEMBL2645851 0.71 TAS1R3 (0.42) TAS1R3TAS1R1TAS1R2

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