SCHEMBL4405412

SCHEMBL4405412

N[C@@H]1[C@@H]2C[C@@H]3C[C@H]1C[C@](O)(C3)C2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.37
HSD11B1 P28845 8/20 0.36
HSD11B2 P80365 2/20 0.36
EPHX2 P34913 4/20 0.33
LMNA P02545 2/20 0.32
SLC22A2 O15244 1/20 0.32
SLC22A1 O15245 1/20 0.32
GRIN2D O15399 1/20 0.32
GRIN3B O60391 1/20 0.32
TSHR P16473 1/20 0.32
NFKB1 P19838 1/20 0.32
STAT6 P42226 1/20 0.32
GRIN1 Q05586 1/20 0.32
GRIN2A Q12879 1/20 0.32
GRIN2B Q13224 1/20 0.32
GRIN2C Q14957 1/20 0.32
GRIN3A Q8TCU5 1/20 0.32
SLC47A1 Q96FL8 1/20 0.32
SIGMAR1 Q99720 1/20 0.32
JAK2 O60674 2/20 0.31

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
SCHEMBL12861211 1.00 PKM (0.37) PKMHSD11B1HSD11B2EPHX2LMNA
SCHEMBL75490 1.00 PKM (0.37) PKMHSD11B1HSD11B2EPHX2LMNA
SCHEMBL256757 1.00 PKM (0.37) PKMHSD11B1HSD11B2EPHX2LMNA
SCHEMBL10138542 1.00 PKM (0.37) PKMHSD11B1HSD11B2EPHX2LMNA
SCHEMBL1154281 1.00 PKM (0.37) PKMHSD11B1HSD11B2EPHX2LMNA
SCHEMBL3510056 1.00 PKM (0.37) PKMHSD11B1HSD11B2EPHX2LMNA
SCHEMBL2812490 1.00 PKM (0.37) PKMHSD11B1HSD11B2EPHX2LMNA
SCHEMBL974709 1.00 PKM (0.37) PKMHSD11B1HSD11B2EPHX2LMNA
SCHEMBL13171860 1.00 PKM (0.37) PKMHSD11B1HSD11B2EPHX2LMNA
SCHEMBL974708 1.00 PKM (0.37) PKMHSD11B1HSD11B2EPHX2LMNA

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
US-8344181-B2 Obesity, type 2 diabetes, hyperlipidemia, hypertension, arteriosclerosis, coronary heart diseases JANSSEN PHARMACEUTICA N.V. (BE) 2013-01-01 US disclosed
EP-1796657-B1 N-2 ADAMANTANYL-2-PHENOXY-ACETAMIDE DERIVATIVES AS 11-BETA HYDROXYSTEROID DEHYDROGENASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2009-12-23 EP disclosed