SCHEMBL16921

SCHEMBL16921

O=S(=O)(c1ccccc1)N1CCN(c2ccc(C(O)(C3CC3)C(F)(F)F)cc2)CC1.O=S(=O)(c1ccccc1)N1CCN(c2ccc([C@@](O)(C3CC3)C(F)(F)F)cc2)CC1

nearest known ligand 0.74

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GCK P35557 9/20 0.74
HTT P42858 1/20 0.55
ALDH1A1 P00352 1/20 0.52
HPGD P15428 1/20 0.52
GAA P10253 1/20 0.52
GCKR Q14397 2/20 0.50
HSD11B1 P28845 2/20 0.50
NR1I2 O75469 1/20 0.48

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
SCHEMBL17808 1.00 GCK (0.74) GCKHTTALDH1A1HPGDGAA
SCHEMBL12078377 1.00 GCK (0.74) GCKHTTALDH1A1HPGDGAA
SCHEMBL16380 1.00 GCK (0.74) GCKHTTALDH1A1HPGDGAA
SCHEMBL16882 0.85 GCK (1.00) GCKHTTALDH1A1HPGDGCKR
SCHEMBL12089250 0.83 GCK (0.66) GCKHTTALDH1A1HPGDGAA
SCHEMBL12089257 0.83 GCK (0.66) GCKHTTALDH1A1HPGDGAA
SCHEMBL15754 0.83 GCK (0.77) GCKHTTALDH1A1HPGDGCKR
SCHEMBL18023 0.83 GCK (0.77) GCKHTTALDH1A1HPGDGCKR
SCHEMBL12079031 0.83 GCK (0.77) GCKHTTALDH1A1HPGDGCKR
SCHEMBL12089258 0.83 GCK (0.66) GCKHTTALDH1A1HPGDGAA

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-2609081-A1 SULFONYLPIPERAZINE DERIVATIVES THAT INTERACT WITH GLUCOKINASE REGULATORY PROTEIN FOR THE TREATMENT OF DIABETES Amgen Inc. (US) 2013-07-03 EP disclosed
WO-2012027261-A1 SULFONYLPIPERAZINE DERIVATIVES THAT INTERACT WITH GLUCOKINASE REGULATORY PROTEIN FOR THE TREATMENT OF DIABETES AMGEN INC. (US) 2012-03-01 WO disclosed