SCHEMBL13040975

SCHEMBL13040975

C[C@@H]1CN(c2ccc(C#N)cc2C(F)(F)F)CCN1S(=O)(=O)c1ccc(Br)s1

nearest known ligand 0.62

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 19/20 0.62

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
SCHEMBL3211294 0.87 HSD11B1 (0.72) HSD11B1
SCHEMBL3219337 0.87 HSD11B1 (0.72) HSD11B1
SCHEMBL13039823 0.83 HSD11B1 (0.75) HSD11B1
SCHEMBL3630390 0.82 HSD11B1 (0.79) HSD11B1
SCHEMBL3225979 0.81 HSD11B1 (0.68) HSD11B1
SCHEMBL3219549 0.81 HSD11B1 (0.69) HSD11B1
SCHEMBL13039824 0.80 HSD11B1 (0.61) HSD11B1
SCHEMBL3220084 0.80 HSD11B1 (0.79) HSD11B1
SCHEMBL3657416 0.80 HSD11B1 (0.60) HSD11B1
SCHEMBL13039829 0.80 HSD11B1 (0.62) HSD11B1

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
WO-2010141550-A2 11-BETA HSD1 INHIBITORS WYETH LLC (US) 2010-12-09 WO disclosed