SCHEMBL2830774

SCHEMBL2830774

CC(C(=N)N(C#N)C1C2CC3CC1CC(NS(C)(=O)=O)(C3)C2)N1CCN(c2ccc(C(F)(F)F)cn2)CC1

nearest known ligand 0.51

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 19/20 0.51
HSD11B2 P80365 4/20 0.43
GAA P10253 1/20 0.42

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
SCHEMBL2824322 0.84 HSD11B1 (0.65) HSD11B1HSD11B2
SCHEMBL2827911 0.82 HSD11B1 (0.59) HSD11B1HSD11B2
SCHEMBL2827913 0.82 HSD11B1 (0.59) HSD11B1HSD11B2
SCHEMBL2827915 0.81 HSD11B1 (0.51) HSD11B1HSD11B2GAA
SCHEMBL231705 0.81 HSD11B1 (0.77) HSD11B1HSD11B2
SCHEMBL2833830 0.77 HSD11B1 (0.51) HSD11B1HSD11B2
SCHEMBL2824723 0.77 HSD11B1 (0.50) HSD11B1HSD11B2
SCHEMBL2836250 0.77 HSD11B1 (0.54) HSD11B1HSD11B2
SCHEMBL2824343 0.75 HSD11B1 (0.63) HSD11B1HSD11B2
SCHEMBL2827493 0.74 HSD11B1 (0.51) HSD11B1HSD11B2

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
EP-2243479-A2 Novel amide and amidine derivates and uses thereof Abbott Laboratories (US) 2010-10-27 EP disclosed