SCHEMBL5425017

SCHEMBL5425017

CCC(C)(C(=O)NC1C2CC3CC1CC(C(=O)O)(C3)C2)N1CCN(c2cccc(C(F)(F)F)c2)CC1

nearest known ligand 0.59

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ HSD11B1 P28845 16/20 0.59
▸ HSD11B2 P80365 10/20 0.59
▸ LMNA P02545 3/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ HTT P42858 1/20 0.40

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
SCHEMBL233196 0.92 HSD11B1 (0.69) HSD11B1HSD11B2LMNAHTT
SCHEMBL233346 0.87 HSD11B1 (0.62) HSD11B1HSD11B2
SCHEMBL2822072 0.84 HSD11B1 (0.56) HSD11B1HSD11B2LMNAHTT
SCHEMBL2822068 0.84 HSD11B1 (0.56) HSD11B1HSD11B2LMNAHTT
SCHEMBL234701 0.82 HSD11B1 (0.76) HSD11B1HSD11B2
SCHEMBL233235 0.81 HSD11B1 (0.64) HSD11B1HSD11B2
SCHEMBL253075 0.81 HSD11B1 (0.59) HSD11B1HSD11B2
SCHEMBL231274 0.80 HSD11B1 (0.65) HSD11B1HSD11B2LMNAALDH1A1
SCHEMBL15899906 0.80 HSD11B1 (0.53) HSD11B1HSD11B2LMNAALDH1A1HTT
SCHEMBL2828364 0.79 HSD11B1 (0.51) HSD11B1HSD11B2LMNAHTT

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
EP-1751108-A1 ADAMANTYL-ACETAMIDE DERIVATIVES AS INHIBITORS OF THE 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 ENZYME ABBOTT LABORATORIES (US) 2007-02-14 — — EP claimed
WO-2005108368-A1 ADAMANTYL-ACETAMIDE DERIVATIVES AS INHIBITORS OF THE 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 ENZYME ABBOTT LABORATORIES (US) 2005-11-17 — — WO claimed
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