SCHEMBL2914663

SCHEMBL2914663

COC(=O)N1C=CC=C[C@@H]1Br

nearest known ligand 0.31

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.31

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
SCHEMBL8866002 0.77
SCHEMBL27685197 0.69
SCHEMBL9112483 0.67 MGAM (0.36) TSHR
SCHEMBL3802341 0.67
SCHEMBL4539743 0.67 MEN1 (0.30)
SCHEMBL29269230 0.65 CHRNB2 (0.32) TSHR
SCHEMBL31356396 0.65 SLC6A3 (0.38)
SCHEMBL31356354 0.65 KDM4E (0.41)
SCHEMBL8866126 0.64
SCHEMBL27721708 0.63 PDE4B (0.36)

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-2231676-A1 (E)-N-{3-[1-(8-FLUORO-11H-10-OXA-1-AZA-DIBENZO[A,D]-CYCL0HEPTEN-5YLIDENE)-PROPYL]-PHENYL }-METHYNSULFON AMIDE AS GLUCOCORTICOID RECEPTOR MODULATOR FOR THE TREATMENT OF RHEUMATOID Eli Lilly & Company (US) 2010-09-29 EP disclosed
WO-2009089312-A1 (E)-N-{3- [1-(8-FLUORO-11H-10-OXA-1-AZA-DIBENZO [A,D] CYCL0HEPTEN-5YLIDENE)-PROPYL]-PHENYL }-METHYNSULFON AMIDE AS GLUCOCORTICOID RECEPTOR MODULATOR FOR THE TREATMENT OF RHEUMATOID ELI LILLY AND COMPANY (US) 2009-07-16 WO disclosed
EP-2043646-A2 GLUCOCORTICOID RECEPTOR MODULATOR AND METHODS OF USE ELI LILLY AND COMPANY (US) 2009-04-08 EP disclosed
WO-2008008882-A2 GLUCOCORTICOID RECEPTOR MODULATOR AND METHODS OF USE ELI LILLY AND COMPANY (US) 2008-01-17 WO disclosed