SCHEMBL2052199

SCHEMBL2052199

C[C@H](C(=O)NC1C2CC3CC(C2)CC1(O)C3)N1CC[C@@H](F)C1

nearest known ligand 0.68

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 10/20 0.68
HSD11B2 P80365 3/20 0.38
EPHX1 P07099 6/20 0.33
KDM4E B2RXH2 2/20 0.32
EPHX2 P34913 2/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL234728 0.81 HSD11B1 (1.00) HSD11B1HSD11B2EPHX2
SCHEMBL2053950 0.76 HSD11B1 (0.50) HSD11B1MEN1KMT2A
SCHEMBL233150 0.76 HSD11B1 (0.74) HSD11B1HSD11B2
SCHEMBL2052823 0.75 ALDH1A1 (0.47) HSD11B1HSD11B2MEN1KMT2A
SCHEMBL232023 0.71 HSD11B1 (0.67) HSD11B1HSD11B2
SCHEMBL28047796 0.67 HSD11B1 (0.37) HSD11B1EPHX1KDM4EEPHX2KMT2A
SCHEMBL230596 0.66 HSD11B1 (0.74) HSD11B1HSD11B2EPHX2
SCHEMBL2824586 0.65 HSD11B1 (0.68) HSD11B1HSD11B2EPHX2
SCHEMBL2824589 0.65 HSD11B1 (0.68) HSD11B1HSD11B2EPHX2
SCHEMBL13255634 0.65 HSD11B1 (0.46) 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
WO-2011068927-A2 11-β-HYDROXYSTEROID DEHYDROGENASE TYPE 1 (11B-HSD1) INHIBITORS AND USES THEREOF ABBOTT LABORATORIES (US) 2011-06-09 WO claimed