SCHEMBL1362432

SCHEMBL1362432

OC(c1ccc2c(cnn2-c2ccc(F)cc2)c1)C1CCCC1

nearest known ligand 0.69

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 16/20 0.69
SMO Q99835 2/20 0.53
PGR P06401 3/20 0.49
CYP11B2 P19099 1/20 0.47

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
SCHEMBL1361800 0.99 NR3C1 (0.67) NR3C1SMOPGRCYP11B2
SCHEMBL27724613 0.81 NR3C1 (0.74) NR3C1SMOPGR
SCHEMBL1361923 0.81 NR3C1 (0.69) NR3C1PGR
SCHEMBL22806014 0.81 NR3C1 (0.78) NR3C1SMOPGR
SCHEMBL1361190 0.80 NR3C1 (0.70) NR3C1SMOPGR
SCHEMBL1363827 0.80 NR3C1 (0.72) NR3C1SMOPGR
SCHEMBL1361834 0.79 NR3C1 (0.69) NR3C1SMO
SCHEMBL3853770 0.79 NR3C1 (0.74) NR3C1PGR
SCHEMBL27724610 0.78 NR3C1 (0.58) NR3C1SMOPGRCYP11B2
SCHEMBL1363760 0.78 NR3C1 (0.69) NR3C1SMO

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-2094692-B1 MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1 AND/OR NF-KAPPAB ACTIVITY AND USE THEREOF BRISTOL MYERS SQUIBB CO (US) 2012-11-28 EP disclosed
US-8067447-B2 Modulators of glucocorticoid receptor, AP-1, and/or NF-κB activity and use thereof BRISTOL-MYERS SQUIBB COMPANY (US) 2011-11-29 US disclosed
EP-2094692-A2 MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1 AND/OR NF-KAPPAB ACTIVITY AND USE THEREOF Brystol-Myers Squibb Company (US) 2009-09-02 EP disclosed
WO-2008057856-A2 MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1 AND/OR NF-KAPPAB ACTIVITY AND USE THEREOF BRISTOL-MYERS SQUIBB COMPANY (US) 2008-05-15 WO disclosed