SCHEMBL4629807

SCHEMBL4629807

CC(C)(C)OC(=O)N1C[C@H]2C[C@]2(c2ccc(I)cc2)C1

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
RORC P51449 12/20 0.44
MGLL Q99685 2/20 0.42
JAK1 P23458 1/20 0.38
KDM1A O60341 1/20 0.37
KDM4E B2RXH2 1/20 0.36
GPR119 Q8TDV5 1/20 0.36

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
SCHEMBL8247516 1.00 RORC (0.44) RORCMGLLJAK1KDM1AKDM4E
SCHEMBL4629158 1.00 RORC (0.44) RORCMGLLJAK1KDM1AKDM4E
SCHEMBL13201876 1.00 RORC (0.44) RORCMGLLJAK1KDM1AKDM4E
SCHEMBL2714917 0.88 RORC (0.44) RORCMGLLJAK1KDM1A
SCHEMBL12313218 0.88 RORC (0.57) RORCMGLL
SCHEMBL23752795 0.88 MGLL (0.54) RORCMGLL
SCHEMBL5242538 0.88 RORC (0.57) RORCMGLL
SCHEMBL2712886 0.88 RORC (0.57) RORCMGLL
SCHEMBL9951030 0.88 RORC (0.57) RORCMGLL
SCHEMBL2975631 0.88 RORC (0.44) RORCMGLLJAK1KDM1A

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-1917242-A1 AZABICYCLO [3.1.0]HEXYLPHENYL DERIVATIVES AS MODULATORS OF DOPAMINE D3 RECEPTORS GLAXO GROUP LIMITED (GB) 2008-05-07 EP disclosed
WO-2007022935-A1 AZABICYCLO [3.1.0] HEXYLPHENYL DERIVATIVES AS MODULATORS OF DOPAMINE D3 RECEPTORS GLAXO GROUP LIMITED (GB) 2007-03-01 WO disclosed