SCHEMBL14214854

SCHEMBL14214854

CC(C)(C(=O)Nc1nncs1)[C@H](c1ccccc1)c1ccc(N2CCOCC2)cc1

nearest known ligand 0.69

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 20/20 0.69
PGR P06401 4/20 0.62
AR P10275 1/20 0.61

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
SCHEMBL2901564 1.00 NR3C1 (0.69) NR3C1PGRAR
SCHEMBL12592839 1.00 NR3C1 (0.69) NR3C1PGRAR
SCHEMBL2895630 0.93 NR3C1 (0.62) NR3C1PGRAR
SCHEMBL2893200 0.92 NR3C1 (0.58) NR3C1PGRAR
SCHEMBL2901385 0.92 NR3C1 (0.72) NR3C1PGRAR
SCHEMBL2892206 0.91 NR3C1 (0.59) NR3C1PGRAR
SCHEMBL2892048 0.91 NR3C1 (0.59) NR3C1PGRAR
SCHEMBL2901471 0.91 NR3C1 (0.70) NR3C1PGRAR
SCHEMBL2896318 0.91 NR3C1 (0.59) NR3C1PGRAR
SCHEMBL2893720 0.90 NR3C1 (0.60) NR3C1PGRAR

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-2008057862-A2 MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF-ϰB ACTIVITY AND USE THEREOF BRISTOL-MYERS SQUIBB COMPANY (US) 2008-05-15 WO disclosed