SCHEMBL2229550

SCHEMBL2229550

COC(C)(C(=O)NC1C2CC3CC1C(C)C(C(=O)O)(C3)C2)N1CCN(c2ccccn2)CC1

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 14/20 0.46
HSD11B2 P80365 4/20 0.46
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HSD17B10 Q99714 1/20 0.41
GRM5 P41594 1/20 0.40
GRM1 Q13255 2/20 0.39
GPR119 Q8TDV5 1/20 0.37

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
SCHEMBL231374 0.92 HSD11B1 (0.55) HSD11B1HSD11B2KDM4EALDH1A1HSD17B10
SCHEMBL2229543 0.83 HSD11B1 (0.51) HSD11B1HSD11B2KDM4EALDH1A1HSD17B10
SCHEMBL2830112 0.78 HSD11B1 (0.75) HSD11B1HSD11B2
SCHEMBL230350 0.78 LMNA (0.45) HSD11B1HSD11B2
SCHEMBL231799 0.77 HSD11B1 (0.46) HSD11B1HSD11B2
SCHEMBL231962 0.76 HSD11B1 (0.72) HSD11B1HSD11B2KDM4EALDH1A1HSD17B10
SCHEMBL233012 0.76 HSD11B1 (0.46) HSD11B1HSD11B2
SCHEMBL231373 0.75 HSD11B1 (0.60) HSD11B1HSD11B2KDM4EALDH1A1HSD17B10
SCHEMBL2831645 0.75 HSD11B1 (0.64) HSD11B1HSD11B2
SCHEMBL16588910 0.74 HSD11B1 (0.58) HSD11B1HSD11B2

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
EP-2345640-A1 Adamantyl- acetamide derivatives as inhibitors of the 11-beta-hydroxysteroid dehydrogenase type 1 enzyme Abbott Laboratories (US) 2011-07-20 EP disclosed