SCHEMBL17696

SCHEMBL17696

CC1(C)C(=O)NCCN1C[C@@]1(c2ncc(C(O)(C(F)(F)F)C(F)(F)F)cn2)CNCCN1

nearest known ligand 0.36

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 1/20 0.36
RORC P51449 1/20 0.31
EPHX2 P34913 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
SCHEMBL17222 0.77 GCK (0.47)
SCHEMBL16561 0.77 GCK (0.38) RORC
SCHEMBL17195 0.74
SCHEMBL17434 0.73 GCK (0.31)
SCHEMBL12077402 0.72 SCN9A (0.32) SCN9ARORC
Trifluoroacetic Acid SCHEMBL12079777 0.69 SCN9A (0.32) SCN9A
SCHEMBL12090188 0.60 HCRTR1 (0.33) SCN9A
SCHEMBL12079779 0.59 SCN9A (0.33) SCN9AEPHX2
SCHEMBL22679235 0.58 EPHX2 (0.33) SCN9AEPHX2
SCHEMBL17413 0.54 ROCK2 (0.40)

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