SCHEMBL328785

SCHEMBL328785

CC1(C)C(=O)N(C2C3CC4CC2CC(/C(N)=N\O)(C4)C3)C=CC1COc1ccc(C(F)(F)F)cn1

nearest known ligand 0.72

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 19/20 0.72
HSD11B2 P80365 8/20 0.72
CYP3A4 P08684 2/20 0.36
CYP2D6 P10635 2/20 0.36
CYP2C9 P11712 2/20 0.36
HCRTR1 O43613 1/20 0.34
HCRTR2 O43614 1/20 0.34

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
SCHEMBL328786 1.00 HSD11B1 (0.72) HSD11B1HSD11B2CYP3A4CYP2D6CYP2C9
SCHEMBL328764 0.84 HSD11B1 (1.00) HSD11B1HSD11B2CYP3A4CYP2D6CYP2C9
SCHEMBL328766 0.84 HSD11B1 (1.00) HSD11B1HSD11B2CYP3A4CYP2D6CYP2C9
SCHEMBL4770323 0.84 HSD11B1 (1.00) HSD11B1HSD11B2CYP3A4CYP2D6CYP2C9
SCHEMBL2821799 0.77 HSD11B1 (0.78) HSD11B1HSD11B2CYP3A4CYP2D6CYP2C9
SCHEMBL2821801 0.77 HSD11B1 (0.78) HSD11B1HSD11B2CYP3A4CYP2D6CYP2C9
SCHEMBL328870 0.75 HSD11B1 (0.86) HSD11B1HSD11B2CYP3A4CYP2D6CYP2C9
SCHEMBL328850 0.74 HSD11B1 (1.00) HSD11B1HSD11B2CYP3A4CYP2D6CYP2C9
SCHEMBL328765 0.70 HSD11B1 (0.83) HSD11B1HSD11B2CYP3A4CYP2D6CYP2C9
SCHEMBL2823094 0.70 HSD11B1 (0.68) HSD11B1HSD11B2CYP3A4CYP2D6CYP2C9

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-2407452-A1 Inhibitors of the 11-beta-hydroxysteroid dehydrogenase Type 1 enzyme Abbott Laboratories (US) 2012-01-18 EP disclosed