SCHEMBL2450581

SCHEMBL2450581

CC1=Cc2c(cnn2-c2ccc(F)cc2)C[C@]1(C)CN(C(=O)O)C(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ NR3C1 P04150 15/20 0.46
▸ GLUL P15104 2/20 0.46

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
SCHEMBL2442345 0.83 NR3C1 (0.47) NR3C1
SCHEMBL1142144 0.81 NR3C1 (0.47) NR3C1
SCHEMBL1142146 0.81 NR3C1 (0.47) NR3C1
SCHEMBL1142203 0.78 NR3C1 (0.51) NR3C1GLUL
SCHEMBL1142196 0.78 NR3C1 (0.51) NR3C1GLUL
SCHEMBL1142206 0.78 NR3C1 (0.49) NR3C1GLUL
SCHEMBL2443858 0.78 NR3C1 (0.49) NR3C1GLUL
SCHEMBL1142204 0.78 NR3C1 (0.49) NR3C1GLUL
SCHEMBL1142461 0.78 NR3C1 (0.51) NR3C1GLUL
SCHEMBL1142457 0.78 NR3C1 (0.51) NR3C1GLUL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1896424-B1 MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF-kB ACTIVITY AND USE THEREOF BRISTOL MYERS SQUIBB CO (US) 2011-09-21 — — EP claimed
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 claimed
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 claimed
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