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SCHEMBL16561

SCHEMBL16561

CC1(C)C(=O)NCCN1C[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 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ GCK P35557 12/20 0.38
▸ POLB P06746 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ RORC P51449 2/20 0.36
▸ GCKR Q14397 1/20 0.35
▸ TRPV4 Q9HBA0 1/20 0.35

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
SCHEMBL17222 0.91 GCK (0.47) GCKCYP2D6GCKR
SCHEMBL17307 0.82 GCK (0.39) GCKPOLBALDH1A1CYP2D6RORC
SCHEMBL16652 0.81 GCK (0.37) GCKPOLBALDH1A1CYP2D6RORC
SCHEMBL16349 0.80 GCK (0.38) GCKPOLBALDH1A1CYP2D6RORC
SCHEMBL12078993 0.79 GCKR (0.48) GCKALDH1A1CYP2D6RORCGCKR
SCHEMBL17696 0.77 SCN9A (0.36) RORC
SCHEMBL16613 0.73 GCK (0.47) GCKCYP2D6GCKR
SCHEMBL17033 0.72 GCK (0.46) GCKGCKR
SCHEMBL17217 0.71 GCK (0.46) GCKCYP2D6GCKR
SCHEMBL16977 0.70 ALDH1A1 (0.43) POLBALDH1A1CYP2D6

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