SCHEMBL3632572

SCHEMBL3632572

O=C1NC[C@@](C(=O)N2CCN(c3ncccc3C(F)(F)F)CC2)(S(=O)(=O)c2ccccc2Cl)N1C1CC1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 9/20 0.46
GAA P10253 1/20 0.45
TRPV1 Q8NER1 4/20 0.44
RBP4 P02753 1/20 0.44
TRPA1 O75762 1/20 0.42
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA9 Q16790 1/20 0.42
HRH3 Q9Y5N1 1/20 0.41

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
SCHEMBL3632439 0.95 HSD11B1 (0.43) HSD11B1GAATRPV1RBP4TRPA1
SCHEMBL3634200 0.87 HSD11B1 (0.47) HSD11B1GAATRPV1RBP4TRPA1
SCHEMBL3631509 0.86 GAA (0.48) HSD11B1GAATRPV1RBP4TRPA1
SCHEMBL3632673 0.84 GAA (0.46) HSD11B1GAATRPV1RBP4TRPA1
SCHEMBL3633963 0.83 GAA (0.45) HSD11B1GAATRPV1RBP4TRPA1
SCHEMBL3632661 0.79 HSD11B1 (0.52) HSD11B1GAATRPV1RBP4TRPA1
SCHEMBL1735664 0.79 HSD11B1 (0.48) HSD11B1GAATRPV1RBP4TRPA1
SCHEMBL3623860 0.79 HSD11B1 (0.52) HSD11B1GAATRPV1RBP4TRPA1
SCHEMBL3213850 0.74 HSD11B1 (0.78) HSD11B1
SCHEMBL3628487 0.73 TRPV1 (0.47) HSD11B1TRPV1RBP4HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2142533-A1 IMIDAZOLIDINONE DERIVATIVES F. Hoffmann-Roche AG (CH) 2010-01-13 EP claimed
WO-2008119657-A1 IMIDAZOLIDINONE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2008-10-09 WO claimed
EP-2142533-A1 IMIDAZOLIDINONE DERIVATIVES F. Hoffmann-Roche AG (CH) 2010-01-13 EP disclosed
WO-2008119657-A1 IMIDAZOLIDINONE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2008-10-09 WO disclosed