SCHEMBL9986603

SCHEMBL9986603

O=C1NCCC2(CCC(CO)CC2)O1

nearest known ligand 0.40

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.40

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
SCHEMBL1700434 0.84 LMNA (0.39) HSD11B1
SCHEMBL1700436 0.84 LMNA (0.39) HSD11B1
SCHEMBL1700728 0.84 LMNA (0.39) HSD11B1
SCHEMBL9985120 0.82 HSD11B1 (0.37) HSD11B1
SCHEMBL341800 0.79 NEK2 (0.33)
SCHEMBL30112732 0.79
SCHEMBL19398302 0.74 LMNA (0.31)
SCHEMBL15987057 0.72 ATM (0.33)
SCHEMBL1665502 0.72 TSHR (0.38) HSD11B1
SCHEMBL1666327 0.72 TSHR (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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2585444-A1 AZASPIROHEXANONES AS INHIBITORS OF 11-BETA-HSD1 FOR THE TREATMENT OF METABOLIC DISORDERS Boehringer Ingelheim International GmbH (DE) 2013-05-01 EP disclosed
WO-2011161128-A1 AZASPIROHEXANONES AS INHIBITORS OF 11-BETA-HSD1 FOR THE TREATMENT OF METABOLIC DISORDERS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-12-29 WO disclosed