SCHEMBL4664494

SCHEMBL4664494

CC12CCC(c3c1n(-c1ccccc1)[nH]c3=O)C2(C)C

nearest known ligand 0.58

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 16/20 0.58
CYP3A4 P08684 3/20 0.53
ALDH1A1 P00352 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46

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
SCHEMBL4371217 1.00 HSD11B1 (0.58) HSD11B1CYP3A4ALDH1A1SMN1; SMN2MEN1
SCHEMBL4371631 1.00 HSD11B1 (0.58) HSD11B1CYP3A4ALDH1A1SMN1; SMN2MEN1
SCHEMBL4370589 0.79 HSD11B1 (0.55) HSD11B1CYP3A4ALDH1A1SMN1; SMN2MEN1
SCHEMBL15151349 0.79 HSD11B1 (0.55) HSD11B1CYP3A4ALDH1A1SMN1; SMN2MEN1
SCHEMBL4367348 0.79 HSD11B1 (0.55) HSD11B1CYP3A4ALDH1A1SMN1; SMN2MEN1
SCHEMBL4665667 0.79 HSD11B1 (0.55) HSD11B1CYP3A4ALDH1A1SMN1; SMN2MEN1
SCHEMBL15151353 0.79 HSD11B1 (0.55) HSD11B1CYP3A4ALDH1A1SMN1; SMN2MEN1
SCHEMBL15151359 0.79 HSD11B1 (0.61) HSD11B1CYP3A4ALDH1A1SMN1; SMN2MEN1
SCHEMBL4665321 0.79 HSD11B1 (0.61) HSD11B1CYP3A4ALDH1A1SMN1; SMN2MEN1
SCHEMBL4365054 0.79 HSD11B1 (0.61) HSD11B1CYP3A4ALDH1A1SMN1; SMN2MEN1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1924563-B1 11-BETA-HYDROXYSTEROID DEHYDROGENASE-1-INHIBITOR-DIABETES-TYPE 2-1 HOFFMANN LA ROCHE (CH) 2013-07-31 EP disclosed
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