SCHEMBL3635560

SCHEMBL3635560

O=CCc1cc(Br)ccc1OC1CCCC1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPY1R P25929 1/20 0.56
NPY2R P49146 1/20 0.56
POLB P06746 1/20 0.42
CSNK2A1 P68400 2/20 0.38
PTGDR Q13258 1/20 0.37
PTGDR2 Q9Y5Y4 1/20 0.37
PDE4B Q07343 4/20 0.37
PDE4A P27815 3/20 0.37
PDE4C Q08493 3/20 0.37
PDE4D Q08499 3/20 0.37
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
NPSR1 Q6W5P4 1/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
MAPT P10636 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
SCHEMBL3635090 0.85 NPY1R (0.47) NPY1RNPY2RPOLBPTGDR2PDE4B
SCHEMBL3632974 0.83 NPY1R (0.54) NPY1RNPY2RPOLBCSNK2A1PTGDR
SCHEMBL25371685 0.80 NPY1R (0.60) NPY1RNPY2RCSNK2A1PTGDRPTGDR2
SCHEMBL30694792 0.80 NPY1R (0.60) NPY1RNPY2RCSNK2A1PTGDRPTGDR2
SCHEMBL27778858 0.77 NPY1R (0.54) NPY1RNPY2RPOLBCSNK2A1PTGDR
SCHEMBL25369504 0.77 NPY1R (0.57) NPY1RNPY2RCSNK2A1PTGDRPTGDR2
SCHEMBL18003630 0.75 POLB (0.49) NPY1RNPY2RPOLBPTGDR2PDE4B
SCHEMBL1821904 0.74 KDM4E (0.51) POLBMEN1KMT2AHTTSMN1; SMN2
SCHEMBL18809057 0.72 NPY1R (0.55) NPY1RNPY2RPOLBPDE4BPDE4A
SCHEMBL16935329 0.71 POLB (0.40) NPY1RNPY2RPOLBCSNK2A1PDE4B

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-2152699-A1 QUINOLONE COMPOUND AND PHARMACEUTICAL COMPOSITION Otsuka Pharmaceutical Co., Ltd. (JP) 2010-02-17 EP disclosed
WO-2008150029-A1 QUINOLONE COMPOUND AND PHARMACEUTICAL COMPOSITION OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2008-12-11 WO disclosed