SCHEMBL21050

SCHEMBL21050

C[C@](O)(c1ccc(N2CCN(S(=O)(=O)c3ccc(Cl)nc3)CC2)cc1)C(F)(F)F

nearest known ligand 0.77

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GCK P35557 11/20 0.77
GCKR Q14397 2/20 0.77
HSD11B1 P28845 4/20 0.54
ALDH1A1 P00352 1/20 0.52
CYP2D6 P10635 1/20 0.52
POLB P06746 1/20 0.51
CHRM1 P11229 1/20 0.50

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
SCHEMBL15834 0.87 GCK (1.00) GCKGCKR
SCHEMBL30956 0.87 GCK (1.00) GCKGCKR
SCHEMBL16938 0.87 GCK (1.00) GCKGCKR
SCHEMBL18023 0.81 GCK (0.77) GCKGCKRHSD11B1ALDH1A1
SCHEMBL15754 0.81 GCK (0.77) GCKGCKRHSD11B1ALDH1A1
SCHEMBL12079031 0.81 GCK (0.77) GCKGCKRHSD11B1ALDH1A1
SCHEMBL17056 0.81 GCK (0.52) GCKGCKRHSD11B1ALDH1A1CYP2D6
SCHEMBL17055 0.80 GCKR (0.81) GCKGCKR
SCHEMBL12090032 0.80 GCK (0.60) GCKGCKRHSD11B1CYP2D6
SCHEMBL16509 0.76 GCK (1.00) GCKGCKR

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012027261-A1 SULFONYLPIPERAZINE DERIVATIVES THAT INTERACT WITH GLUCOKINASE REGULATORY PROTEIN FOR THE TREATMENT OF DIABETES AMGEN INC. (US) 2012-03-01 WO disclosed