SCHEMBL12809592

SCHEMBL12809592

O=C(N[C@H]1CCC2CC3C[C@](O)(C2)CC31)c1cnn(C2CCCC2)c1Cl

nearest known ligand 0.44

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 20/20 0.44

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
SCHEMBL14413282 1.00 HSD11B1 (0.44) HSD11B1
SCHEMBL14412980 0.99 HSD11B1 (0.43) HSD11B1
SCHEMBL12809716 0.87 HSD11B1 (0.43) HSD11B1
SCHEMBL14412839 0.87 HSD11B1 (0.43) HSD11B1
SCHEMBL12809467 0.86 HSD11B1 (0.43) HSD11B1
SCHEMBL14413260 0.86 HSD11B1 (0.43) HSD11B1
SCHEMBL12809586 0.84 HSD11B1 (0.43) HSD11B1
SCHEMBL13294035 0.84 HSD11B1 (0.60) HSD11B1
SCHEMBL13294030 0.83 HSD11B1 (0.59) HSD11B1
SCHEMBL14413258 0.83 HSD11B1 (0.43) 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
EP-2295411-A1 Pyrazoles as 11-beta-hsd-1 F. Hoffmann-La Roche AG (CH) 2011-03-16 EP disclosed