SCHEMBL14277239

SCHEMBL14277239

C1C2CC3CC1CC(C2)n1c3nnc1C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 8/20 0.40
HSD17B1 P14061 1/20 0.39
GAA P10253 1/20 0.38
RAB9A P51151 1/20 0.38
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32

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
Trifluoroacetic Acid SCHEMBL5104947 0.87 HSD11B1 (0.38) HSD11B1HSD17B1GAARAB9A
Fluoroacetate SCHEMBL6357897 0.87 HSD11B1 (0.35) HSD11B1HSD17B1GAARAB9AMEN1
SCHEMBL5104767 0.83 HSD11B1 (0.46) HSD11B1HSD17B1GAARAB9AMEN1
SCHEMBL5098423 0.81 HSD11B1 (0.40) HSD11B1HSD17B1GAARAB9A
SCHEMBL2667916 0.81 HSD11B1 (0.41) HSD11B1HSD17B1GAARAB9A
SCHEMBL5104628 0.81 HSD11B1 (0.41) HSD11B1HSD17B1GAARAB9A
SCHEMBL2383169 0.73 HSD11B1 (0.45) HSD11B1
SCHEMBL14277222 0.73 HSD11B1 (0.41) HSD11B1HSD17B1GAARAB9AMEN1
SCHEMBL14277223 0.73 HSD11B1 (0.38) HSD11B1HSD17B1GAARAB9AMEN1
SCHEMBL5098048 0.73 HSD11B1 (0.38) HSD11B1HSD17B1GAARAB9AMEN1

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
US-7329683-B2 11-β-hydroxysteroid dehydrogenase 1 inhibitors useful for the treatment of diabetes, obesity and dyslipidemia MERCK & CO., INC. (US) 2008-02-12 US disclosed
US-7329683-B2 11-β-hydroxysteroid dehydrogenase 1 inhibitors useful for the treatment of diabetes, obesity and dyslipidemia MERCK & CO., INC. (US) 2008-02-12 US disclosed
EP-1474139-B1 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 INHIBITORS USEFUL FOR THE TREATMENT OF DIABETES, OBESITY AND DYSLIPIDEMIA MERCK & CO INC (US) 2007-11-21 EP disclosed