SCHEMBL1650441

SCHEMBL1650441

NOC(=O)C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.48
GAA P10253 1/20 0.48
XBP1 P17861 1/20 0.48
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
ALDH1A1 P00352 2/20 0.46
NPSR1 Q6W5P4 1/20 0.46
PRKCA P17252 1/20 0.44
SCN1A P35498 1/20 0.44
SCN2A Q99250 1/20 0.44
SCN3A Q9NY46 1/20 0.44
RAB9A P51151 1/20 0.42
CRHBP P24387 1/20 0.42
HTT P42858 1/20 0.42
CRHR2 Q13324 1/20 0.42
MCOLN3 Q8TDD5 1/20 0.42
GLA P06280 1/20 0.42
CYP17A1 P05093 4/20 0.42
CYP19A1 P11511 4/20 0.42
KDM4E B2RXH2 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
SCHEMBL6378192 0.80 MAPT (0.52) MAPTGAAXBP1MEN1KMT2A
SCHEMBL1699800 0.77 ALDH1A1 (0.36) MAPTGAAXBP1KMT2AALDH1A1
SCHEMBL905300 0.76 GLA (0.57) MAPTGAAXBP1MEN1KMT2A
SCHEMBL4734157 0.76 MAPT (0.48) MAPTGAAXBP1MEN1KMT2A
SCHEMBL1439514 0.76 MAPT (0.48) MAPTGAAXBP1MEN1KMT2A
SCHEMBL28308473 0.76 MAPT (0.48) MAPTGAAXBP1MEN1KMT2A
SCHEMBL3322717 0.74 SCN1A (0.47) MAPTGAAXBP1MEN1KMT2A
SCHEMBL12132675 0.74 ALDH1A1 (0.58) MAPTGAAXBP1MEN1KMT2A
SCHEMBL1300037 0.74 SCN1A (0.51) MAPTGAAXBP1MEN1KMT2A
SCHEMBL23646043 0.73 ALDH1A1 (0.51) MAPTGAAXBP1MEN1KMT2A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011049520-A1 ADAMANTYL IMINOCARBONYL-SUBSTITUTED PYRIMIDINES AS INHIBITORS OF 1 1 BETAHSD1 ASTRAZENECA AB (SE) 2011-04-28 WO disclosed
EP-1751108-A1 ADAMANTYL-ACETAMIDE DERIVATIVES AS INHIBITORS OF THE 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 ENZYME ABBOTT LABORATORIES (US) 2007-02-14 EP disclosed
WO-2005108368-A1 ADAMANTYL-ACETAMIDE DERIVATIVES AS INHIBITORS OF THE 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 ENZYME ABBOTT LABORATORIES (US) 2005-11-17 WO disclosed