SCHEMBL5704271

SCHEMBL5704271

COc1ccc(Br)cc1OC1CCCCC1

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 11/20 0.57
PDE4B Q07343 11/20 0.54
PDE4D Q08499 11/20 0.54
PDE4C Q08493 10/20 0.54
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
NPY1R P25929 1/20 0.51
NPY2R P49146 1/20 0.51
POLB P06746 1/20 0.51

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
SCHEMBL129356 0.98 PDE4A (0.59) PDE4APDE4BPDE4DPDE4CNPY1R
SCHEMBL130569 0.95 PDE4A (0.55) PDE4APDE4BPDE4DPDE4CNPY1R
SCHEMBL133005 0.91 PDE4A (0.50) PDE4APDE4BPDE4DPDE4CNPY1R
SCHEMBL31096114 0.91 PDE4A (0.50) PDE4APDE4BPDE4DPDE4CNPY1R
SCHEMBL29340248 0.88 NPY1R (0.49) PDE4APDE4BPDE4DPDE4CMEN1
SCHEMBL21823754 0.84 PDE4A (0.44) PDE4APDE4BPDE4DPDE4C
SCHEMBL31096321 0.84 PDE4A (0.44) PDE4APDE4BPDE4DPDE4C
SCHEMBL682835 0.83 KDM4E (0.44) PDE4APDE4D
SCHEMBL5823060 0.81 PDE4A (0.77) PDE4APDE4BPDE4DPDE4CPOLB
SCHEMBL27792295 0.81 NPY1R (0.48) MEN1KMT2ANPY1RNPY2RPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100582088-C Aminoalcohol derivatives ASTELLAS PHARMA INC 2010-01-20 CN disclosed
CN-1906154-A Aminoalcohol derivatives FUJISAWA PHARMACEUTICAL CO (JP) 2007-01-31 CN disclosed
EP-1697301-A2 AMINOALCOHOL DERIVATIVES Astellas Pharma Inc. (JP) 2006-09-06 EP disclosed
WO-2005061433-A2 AMINOALCOHOL DERIVATIVES ASTELLAS PHARMA INC. (JP) 2005-07-07 WO disclosed