SCHEMBL8202876

SCHEMBL8202876

C=C(NCc1cc2c(c(F)c1F)OCC(=O)N2)OC(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 11/20 0.37
ADRB1 P08588 8/20 0.36
NR3C2 P08235 1/20 0.34

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
SCHEMBL8189695 0.92 ADRB2 (0.36) ADRB2ADRB1NR3C2
SCHEMBL8197296 0.88 BRD4 (0.39) ADRB2ADRB1NR3C2
SCHEMBL14079839 0.83 ADRB2 (0.39) ADRB2ADRB1NR3C2
SCHEMBL8190807 0.83 MAPT (0.40) NR3C2
SCHEMBL8206837 0.80 NR3C2 (0.36) ADRB2ADRB1NR3C2
SCHEMBL8196796 0.80 NR3C2 (0.47) ADRB2ADRB1NR3C2
SCHEMBL14080051 0.78 IL4I1 (0.39) ADRB2ADRB1NR3C2
SCHEMBL13181783 0.75 PARP1 (0.37) ADRB2ADRB1NR3C2
SCHEMBL13424803 0.75 PARP1 (0.47) ADRB2ADRB1NR3C2
SCHEMBL5215313 0.74 NR3C2 (0.37) ADRB2ADRB1NR3C2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008063668-A1 HETEROBICYCLIC METALLOPROTEASE INHIBITORS ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2008-05-29 WO disclosed