SCHEMBL1574037

SCHEMBL1574037

NC1(CNC2C3CC4CC2CC(O)(C4)C3)CCCN(Cc2ccccc2)C1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 7/20 0.46
CYP2D6 P10635 6/20 0.38
ALDH1A1 P00352 2/20 0.38
CYP3A4 P08684 2/20 0.37
TSHR P16473 2/20 0.37
CXCR3 P49682 1/20 0.37
HSD17B10 Q99714 1/20 0.37
NPFFR1 Q9GZQ6 1/20 0.36
NPFFR2 Q9Y5X5 1/20 0.36

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
SCHEMBL1573999 0.75 HSD11B1 (0.41) HSD11B1
SCHEMBL4092715 0.73 HSD11B1 (0.41) HSD11B1
SCHEMBL13112950 0.71 EPHX2 (0.47) HSD11B1ALDH1A1TSHR
SCHEMBL12057025 0.71 EPHX2 (0.47) HSD11B1ALDH1A1TSHR
SCHEMBL3505999 0.71 EPHX2 (0.47) HSD11B1ALDH1A1TSHR
SCHEMBL12057037 0.71 EPHX2 (0.47) HSD11B1ALDH1A1TSHR
SCHEMBL3505996 0.71 EPHX2 (0.47) HSD11B1ALDH1A1TSHR
SCHEMBL13819451 0.71 EPHX2 (0.47) HSD11B1ALDH1A1TSHR
SCHEMBL12057023 0.71 EPHX2 (0.47) HSD11B1ALDH1A1TSHR
SCHEMBL3505997 0.71 EPHX2 (0.47) HSD11B1ALDH1A1TSHR

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-2308851-A1 Imidazolone and imidazolidinone derivatives as 11B-HSD1 inhibitors for the treatment of diabetes F. Hoffmann-La Roche AG (CH) 2011-04-13 EP disclosed