SCHEMBL7149989

SCHEMBL7149989

COc1cnc(CCNC(=O)O)cc1OC1CCCC1

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 12/20 0.47
PDE4D Q08499 12/20 0.47
PDE4A P27815 11/20 0.47
PDE4C Q08493 11/20 0.47
QPCT Q16769 2/20 0.43
EPHX2 P34913 1/20 0.43
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
SCHEMBL7144848 0.84 PDE4A (0.41) PDE4BPDE4DPDE4APDE4CQPCT
SCHEMBL6606569 0.81 PDE4B (0.50) PDE4BPDE4DPDE4APDE4CPOLB
SCHEMBL72368 0.80 PDE4A (0.50) PDE4BPDE4DPDE4APDE4CPOLB
SCHEMBL7148127 0.79 PDE4A (0.47) PDE4BPDE4DPDE4APDE4C
SCHEMBL6606739 0.76 PDE4A (0.46) PDE4BPDE4DPDE4APDE4C
SCHEMBL72957 0.76 PDE4A (0.58) PDE4BPDE4DPDE4APDE4CPOLB
SCHEMBL70423 0.75 PDE4A (0.57) PDE4BPDE4DPDE4APDE4CPOLB
SCHEMBL6605575 0.73 PDE4B (0.44) PDE4BPDE4DPDE4APDE4C
SCHEMBL21045697 0.71 PDE4B (0.55) PDE4BPDE4DPDE4APDE4C
SCHEMBL7361467 0.70 MEN1 (0.58) PDE4BPDE4DPDE4APDE4C

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
US-6656959-B1 PDE IV inhibiting pyridine derivatives JANSSEN PHARMACEUTICA N.V. (BE) 2003-12-02 US disclosed
EP-1068194-B1 PDE IV INHIBITING PYRIDINE DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2003-11-05 EP disclosed