SCHEMBL12073754

SCHEMBL12073754

C[C@@H](c1ccc(N)cc1)N1CCC2(CCC3(CC2)OCC(C)(C)CO3)OC1=O

nearest known ligand 0.82

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 20/20 0.82

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
SCHEMBL11885689 0.90 HSD11B1 (1.00) HSD11B1
SCHEMBL9985567 0.90 HSD11B1 (0.83) HSD11B1
SCHEMBL9985682 0.89 HSD11B1 (0.82) HSD11B1
SCHEMBL11029913 0.89 HSD11B1 (0.82) HSD11B1
SCHEMBL9986309 0.89 HSD11B1 (0.81) HSD11B1
SCHEMBL9985138 0.87 HSD11B1 (0.78) HSD11B1
SCHEMBL9985416 0.87 HSD11B1 (0.78) HSD11B1
SCHEMBL9985414 0.86 HSD11B1 (0.77) HSD11B1
SCHEMBL9986697 0.86 HSD11B1 (0.77) HSD11B1
SCHEMBL9986101 0.84 HSD11B1 (0.74) 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-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