SCHEMBL16652

SCHEMBL16652

O=C1CC2COCC(C1)N2C[C@@]1(c2ncc(C(O)(C(F)(F)F)C(F)(F)F)cn2)CN(S(=O)(=O)c2ccc(Cl)nc2)CCN1

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GCK P35557 11/20 0.37
POLB P06746 1/20 0.36
GCKR Q14397 1/20 0.34
RORC P51449 3/20 0.34
TRPV4 Q9HBA0 1/20 0.34
ALDH1A1 P00352 1/20 0.34
CYP2D6 P10635 1/20 0.34

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
SCHEMBL16349 0.92 GCK (0.38) GCKPOLBGCKRRORCALDH1A1
SCHEMBL17033 0.84 GCK (0.46) GCKGCKR
SCHEMBL16561 0.81 GCK (0.38) GCKPOLBGCKRRORCTRPV4
SCHEMBL16588 0.80 GCK (0.30) GCK
SCHEMBL21749 0.79 RORC (0.39) GCKGCKRRORC
SCHEMBL17524 0.79
SCHEMBL17307 0.78 GCK (0.39) GCKPOLBGCKRRORCALDH1A1
SCHEMBL16981 0.77 GCKR (0.48) GCKGCKR
SCHEMBL17195 0.77
SCHEMBL16486 0.73 GCK (0.30) GCK

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