SCHEMBL14412973

SCHEMBL14412973

CC(C)(C)n1ncc(C(=O)N[C@H]2CC[C@]3(O)CC4CC(C3)C2C4)c1C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 19/20 0.43

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
SCHEMBL12809740 1.00 HSD11B1 (0.43) HSD11B1
SCHEMBL14412570 0.87 HSD11B1 (0.44) HSD11B1
SCHEMBL14413254 0.87 HSD11B1 (0.42) HSD11B1
SCHEMBL12809455 0.87 HSD11B1 (0.42) HSD11B1
SCHEMBL13293983 0.84 HSD11B1 (0.59) HSD11B1
SCHEMBL12809450 0.84 HSD11B1 (0.44) HSD11B1
SCHEMBL13293982 0.84 HSD11B1 (0.59) HSD11B1
SCHEMBL12809739 0.84 HSD11B1 (0.44) HSD11B1
SCHEMBL14412571 0.82 HSD11B1 (0.43) HSD11B1
SCHEMBL14413275 0.81 HSD11B1 (0.38) 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-2007107470-A2 PYRAZOLES AS 11-BETA-HSD-1 F. HOFFMANN-LA ROCHE AG (CH) 2007-09-27 WO disclosed