SCHEMBL4662830

SCHEMBL4662830

Cn1c2c(c(=O)n1Cc1cn(C(c3ccccc3)(c3ccccc3)c3ccccc3)nc1C(F)(F)F)C1CCC2(C)C1(C)C

nearest known ligand 0.65

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 19/20 0.65
CYP3A4 P08684 4/20 0.65
ALDH1A1 P00352 1/20 0.39

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
SCHEMBL4370575 1.00 HSD11B1 (0.65) HSD11B1CYP3A4ALDH1A1
SCHEMBL4371084 1.00 HSD11B1 (0.65) HSD11B1CYP3A4ALDH1A1
SCHEMBL4367555 0.79 HSD11B1 (1.00) HSD11B1CYP3A4
SCHEMBL4632177 0.79 HSD11B1 (1.00) HSD11B1CYP3A4
SCHEMBL4662806 0.77 HSD11B1 (0.65) HSD11B1CYP3A4
SCHEMBL4368575 0.77 HSD11B1 (0.65) HSD11B1CYP3A4
SCHEMBL4367546 0.77 HSD11B1 (0.65) HSD11B1CYP3A4
SCHEMBL4367585 0.77 HSD11B1 (0.77) HSD11B1CYP3A4
SCHEMBL16198580 0.77 HSD11B1 (0.77) HSD11B1CYP3A4
SCHEMBL4666480 0.75 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1924563-A1 11-BETA-HYDROXYSTEROID DEHYDROGENASE-1-INHIBITOR-DIABETES-TYPE 2-1 F.HOFFMANN-LA ROCHE AG (CH) 2008-05-28 EP disclosed
WO-2007025892-A1 11-BETA-HYDROXYSTEROID DEHYDROGENASE-1-INHIBITOR-DIABETES-TYPE 2-1 F. HOFFMANN-LA ROCHE AG (CH) 2007-03-08 WO disclosed