SCHEMBL4632613

SCHEMBL4632613

CC12CCC(c3c1n(CC1CCC1)n(-c1ccc(F)cc1F)c3=O)C2(C)C

nearest known ligand 0.71

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 19/20 0.71
CYP3A4 P08684 4/20 0.71
OPRM1 P35372 1/20 0.38
OPRK1 P41145 1/20 0.38
OPRL1 P41146 1/20 0.38

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
SCHEMBL4371168 1.00 HSD11B1 (0.71) HSD11B1CYP3A4OPRM1OPRK1OPRL1
SCHEMBL4631974 0.96 HSD11B1 (0.74) HSD11B1CYP3A4
SCHEMBL4365836 0.96 HSD11B1 (0.74) HSD11B1CYP3A4
SCHEMBL15151352 0.90 HSD11B1 (0.58) HSD11B1CYP3A4
SCHEMBL4375647 0.88 HSD11B1 (0.76) HSD11B1CYP3A4
SCHEMBL4376022 0.88 HSD11B1 (0.76) HSD11B1CYP3A4
SCHEMBL4369294 0.86 HSD11B1 (0.77) HSD11B1CYP3A4
SCHEMBL4369524 0.86 HSD11B1 (0.77) HSD11B1CYP3A4
SCHEMBL4375609 0.85 HSD11B1 (0.79) HSD11B1CYP3A4
SCHEMBL4371109 0.85 HSD11B1 (0.89) 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