SCHEMBL2053330

SCHEMBL2053330

CC(C)(C(=O)NC1C2CC3CC(C2)CC1C3)N1CCN(c2ccccn2)CC1

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 11/20 0.54
HSD11B2 P80365 1/20 0.52
ALDH1A1 P00352 2/20 0.48
KDM4E B2RXH2 1/20 0.48
HSD17B10 Q99714 1/20 0.48
GRM5 P41594 1/20 0.48
GPR119 Q8TDV5 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.44
GRM1 Q13255 2/20 0.43

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
SCHEMBL231962 0.86 HSD11B1 (0.72) HSD11B1HSD11B2ALDH1A1KDM4EHSD17B10
SCHEMBL232860 0.85 HSD11B1 (0.72) HSD11B1HSD11B2GRM5
SCHEMBL231373 0.84 HSD11B1 (0.60) HSD11B1HSD11B2ALDH1A1KDM4EHSD17B10
SCHEMBL15899750 0.84 HSD11B1 (0.55) HSD11B1HSD11B2ALDH1A1KDM4EHSD17B10
SCHEMBL3955709 0.83 HSD11B1 (0.59) HSD11B1HSD11B2
SCHEMBL6336789 0.81 HSD11B1 (0.79) HSD11B1HSD11B2ALDH1A1
SCHEMBL4215598 0.80 HSD11B1 (0.57) HSD11B1HSD11B2
SCHEMBL231374 0.80 HSD11B1 (0.55) HSD11B1HSD11B2ALDH1A1KDM4EHSD17B10
SCHEMBL4210443 0.79 ALDH1A1 (0.67) HSD11B1ALDH1A1KDM4EHSD17B10SMN1; SMN2
SCHEMBL2229543 0.76 HSD11B1 (0.51) HSD11B1HSD11B2ALDH1A1KDM4EHSD17B10

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 disclosed