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SCHEMBL18340

SCHEMBL18340

CN(C[C@@]1(c2ccc(C(C)(O)C(F)(F)F)cc2)CN(S(=O)(=O)C2=CC=CCC2=S)CCN1)S(C)(=O)=O

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ HSD11B1 P28845 10/20 0.32
▸ KCNH2 Q12809 3/20 0.32
▸ CYP3A4 P08684 2/20 0.32
▸ NR1I2 O75469 1/20 0.30
▸ RORC P51449 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
SCHEMBL17936 0.91 HSD11B1 (0.31) HSD11B1KCNH2CYP3A4
SCHEMBL18009 0.89 HSD11B1 (0.33) HSD11B1KCNH2CYP3A4
SCHEMBL23860 0.89 HSD11B1 (0.34) HSD11B1KCNH2CYP3A4RORC
SCHEMBL18402 0.89 HSD11B1 (0.32) HSD11B1KCNH2CYP3A4RORC
SCHEMBL16811 0.88 HSD11B1 (0.31) HSD11B1RORC
SCHEMBL16949 0.88 HSD11B1 (0.31) HSD11B1KCNH2CYP3A4
SCHEMBL16249 0.87 GCK (0.31) —
SCHEMBL17315 0.87 HSD11B1 (0.32) HSD11B1KCNH2CYP3A4NR1I2RORC
SCHEMBL16912 0.86 HSD11B1 (0.34) HSD11B1KCNH2CYP3A4NR1I2RORC
SCHEMBL16074 0.86 HSD11B1 (0.34) HSD11B1KCNH2CYP3A4NR1I2RORC

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