SCHEMBL14301752

SCHEMBL14301752

Cn1c(-c2ccc(S)cc2)nnc1C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.74

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 15/20 0.74
GAA P10253 1/20 0.37
RAB9A P51151 1/20 0.37
HSD11B2 P80365 1/20 0.36
NR1I2 O75469 1/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
KMT2A Q03164 1/20 0.36
HSD17B1 P14061 1/20 0.35

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
SCHEMBL5092195 0.88 HSD11B1 (0.78) HSD11B1GAARAB9AHSD11B2NR1I2
SCHEMBL5095896 0.86 HSD11B1 (0.74) HSD11B1HSD11B2NR1I2
SCHEMBL5105117 0.86 HSD11B1 (0.74) HSD11B1GAAHSD11B2ALDH1A1HSD17B1
SCHEMBL5098612 0.86 HSD11B1 (0.74) HSD11B1GAARAB9AHSD11B2NR1I2
Fig 1 SCHEMBL5095865 0.85 HSD11B1 (1.00) HSD11B1NR1I2
SCHEMBL5104995 0.83 HSD11B1 (0.71) HSD11B1GAARAB9AHSD11B2NR1I2
SCHEMBL5095961 0.83 HSD11B1 (0.71) HSD11B1
SCHEMBL5098044 0.83 HSD11B1 (0.71) HSD11B1GAARAB9AMEN1ALDH1A1
SCHEMBL5092127 0.82 HSD11B1 (0.69) HSD11B1GAARAB9AHSD11B2NR1I2
SCHEMBL5098543 0.82 HSD11B1 (0.69) HSD11B1

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
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