SCHEMBL2052823

SCHEMBL2052823

CC(C(=O)NC1C2CC3CC(C2)CC1(O)C3)N1CCN(c2ccc(F)cc2)CC1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
TSHR P16473 1/20 0.47
HTT P42858 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
HSD11B1 P28845 10/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
MAPT P10636 3/20 0.44
RECQL P46063 1/20 0.44
HSD11B2 P80365 1/20 0.42

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
SCHEMBL230342 0.84 HSD11B1 (0.63) HSD11B1HSD11B2
SCHEMBL2052199 0.75 HSD11B1 (0.68) HSD11B1MEN1KMT2AHSD11B2
SCHEMBL2053950 0.75 HSD11B1 (0.50) ALDH1A1HSD11B1MEN1KMT2A
SCHEMBL232027 0.73 HSD11B1 (0.76) HSD11B1HSD11B2
SCHEMBL230990 0.72 HSD11B1 (0.62) ALDH1A1HSD11B1MEN1KMT2AHSD11B2
SCHEMBL2823259 0.71 HSD11B1 (0.51) HSD11B1HSD11B2
SCHEMBL2823256 0.71 HSD11B1 (0.51) HSD11B1HSD11B2
SCHEMBL230248 0.69 HSD11B1 (0.64) HSD11B1HSD11B2
SCHEMBL2823260 0.67 HSD11B1 (0.42) ALDH1A1SMN1; SMN2TSHRHTTNPSR1
SCHEMBL7425098 0.65 MEN1 (0.52) ALDH1A1HTTNPSR1MEN1KMT2A

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