SCHEMBL13636283

SCHEMBL13636283

CC12CC[C@H](c3c1n(CCCO)n(-c1ccc(F)cc1F)c3=O)C2(C)C

nearest known ligand 0.75

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 20/20 0.75
CYP3A4 P08684 4/20 0.71

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
SCHEMBL4371614 1.00 HSD11B1 (0.75) HSD11B1CYP3A4
SCHEMBL4369294 0.94 HSD11B1 (0.77) HSD11B1CYP3A4
SCHEMBL4369524 0.90 HSD11B1 (0.77) HSD11B1CYP3A4
SCHEMBL4376022 0.88 HSD11B1 (0.76) HSD11B1CYP3A4
SCHEMBL4375647 0.88 HSD11B1 (0.76) HSD11B1CYP3A4
SCHEMBL4370608 0.87 HSD11B1 (0.73) HSD11B1CYP3A4
SCHEMBL4365844 0.87 HSD11B1 (0.73) HSD11B1CYP3A4
SCHEMBL4365836 0.86 HSD11B1 (0.74) HSD11B1CYP3A4
SCHEMBL4631974 0.86 HSD11B1 (0.74) HSD11B1CYP3A4
SCHEMBL4370363 0.85 HSD11B1 (1.00) HSD11B1CYP3A4

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
US-7622492-B2 Pyrazolones as inhibitors of 11β-hydroxysteroid dehydrogenase HOFFMANN-LA ROCHE INC. (US) 2009-11-24 US disclosed