SCHEMBL8071983

SCHEMBL8071983

COc1ccc(CN2C(=O)CCC2CO)cc1-c1cccc(NO)c1

nearest known ligand 0.45

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HCRTR2 O43614 19/20 0.45
HCRTR1 O43613 18/20 0.45
GYS1 P13807 1/20 0.42

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
SCHEMBL8058230 1.00 HCRTR2 (0.45) HCRTR2HCRTR1GYS1
SCHEMBL8067483 0.92 HCRTR2 (0.44) HCRTR2HCRTR1GYS1
SCHEMBL15906089 0.87 HCRTR2 (0.47) HCRTR2HCRTR1GYS1
SCHEMBL15906091 0.87 HCRTR2 (0.47) HCRTR2HCRTR1GYS1
SCHEMBL15906110 0.87 HCRTR2 (0.47) HCRTR2HCRTR1GYS1
SCHEMBL13578445 0.85 HCRTR2 (0.45) HCRTR2HCRTR1GYS1
SCHEMBL13578446 0.85 HCRTR2 (0.45) HCRTR2HCRTR1GYS1
SCHEMBL13578438 0.85 HCRTR2 (0.45) HCRTR2HCRTR1GYS1
SCHEMBL8073873 0.85 HCRTR2 (0.39) HCRTR2HCRTR1GYS1
SCHEMBL8053607 0.85 HCRTR2 (0.39) HCRTR2HCRTR1GYS1

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-2009067600-A2 BIARYL PDE4 INHIBITORS FOR TREATING INFLAMMATION DECODE GENETICS EHF (IS) 2009-05-28 WO disclosed