SCHEMBL4740125

SCHEMBL4740125

CC1=Cc2c(cnn2-c2ccc(F)cc2)CC1(C)CCCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 14/20 0.49
PGR P06401 1/20 0.45

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
SCHEMBL4742113 0.94 NR3C1 (0.51) NR3C1PGR
SCHEMBL1141826 0.85 NR3C1 (0.47) NR3C1PGR
SCHEMBL1141822 0.85 NR3C1 (0.47) NR3C1PGR
SCHEMBL1142470 0.85 NR3C1 (0.47) NR3C1PGR
SCHEMBL2446572 0.85 NR3C1 (0.47) NR3C1PGR
SCHEMBL2484059 0.82 NR3C1 (0.49) NR3C1PGR
SCHEMBL1142457 0.82 NR3C1 (0.51) NR3C1
SCHEMBL2452082 0.82 NR3C1 (0.50) NR3C1
SCHEMBL1142461 0.82 NR3C1 (0.51) NR3C1
SCHEMBL1142160 0.81 NR3C1 (0.48) NR3C1PGR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1896424-A2 MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF-kB ACTIVITY AND USE THEREOF Bristol-Myers Squibb Company (US) 2008-03-12 EP disclosed
WO-2006138373-A2 MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF-kB ACTIVITY AND USE THEREOF BRISTOL-MYERS SQUIBB COMPANY (US) 2006-12-28 WO disclosed