SCHEMBL2830591

SCHEMBL2830591

N#CN(C(=N)CN1CCN(c2ccc(C(F)(F)F)cn2)CC1)C1C2CC3CC1CC(F)(C3)C2

nearest known ligand 0.62

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 20/20 0.62
HSD11B2 P80365 7/20 0.41

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
SCHEMBL2824529 0.78 HSD11B1 (0.74) HSD11B1HSD11B2
SCHEMBL2831870 0.78 HSD11B1 (0.74) HSD11B1HSD11B2
SCHEMBL2831873 0.78 HSD11B1 (0.63) HSD11B1HSD11B2
SCHEMBL230352 0.77 HSD11B1 (1.00) HSD11B1HSD11B2
SCHEMBL2824343 0.76 HSD11B1 (0.63) HSD11B1HSD11B2
SCHEMBL2824723 0.75 HSD11B1 (0.50) HSD11B1HSD11B2
SCHEMBL2833023 0.75 HSD11B1 (0.50) HSD11B1HSD11B2
SCHEMBL2836250 0.75 HSD11B1 (0.54) HSD11B1HSD11B2
SCHEMBL2825241 0.75 HSD11B1 (0.50) HSD11B1HSD11B2
SCHEMBL2827493 0.75 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