SCHEMBL7420271

SCHEMBL7420271

CC(=O)c1ccc(Br)cc1OC1CCCC1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NPY1R P25929 1/20 0.45
NPY2R P49146 1/20 0.45
SLC6A4 P31645 1/20 0.43
PDE4B Q07343 4/20 0.43
PDE4D Q08499 4/20 0.43
MAPK14 Q16539 1/20 0.43
PDE4A P27815 3/20 0.43
PDE4C Q08493 3/20 0.43
PTGDR2 Q9Y5Y4 1/20 0.42
POLB P06746 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
SCHEMBL1136287 0.88 PTGDR2 (0.52) NPY1RNPY2RPDE4BPDE4DMAPK14
SCHEMBL4584962 0.85 PDE4A (0.46) NPY1RNPY2RSLC6A4PDE4BPDE4D
SCHEMBL31535446 0.83 SLC6A4 (0.44) SLC6A4PDE4BPDE4DPDE4APDE4C
SCHEMBL26984344 0.82 PDE5A (0.47) NPY1RNPY2RSLC6A4PDE4BPDE4D
SCHEMBL7421048 0.81 PDE4B (0.58) PDE4BPDE4DMAPK14PDE4APDE4C
SCHEMBL7422037 0.81 PDE4B (0.58) PDE4BPDE4DMAPK14PDE4APDE4C
SCHEMBL3635088 0.80 PTGDR2 (0.45) NPY1RNPY2RPDE4BPDE4DMAPK14
SCHEMBL7415351 0.79 PDE4B (0.50) PDE4BPDE4DMAPK14PDE4APDE4C
SCHEMBL5703741 0.79 NPY1R (0.46) NPY1RNPY2RPDE4BPDE4DMAPK14
SCHEMBL20563399 0.79 NR4A2 (0.48) SLC6A4

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-1995004046-A1 COMPOUNDS AS PDE IV AND TNF INHIBITORS RHONE-POULENC RORER LIMITED (GB) 1995-02-09 WO disclosed