SCHEMBL7144848

SCHEMBL7144848

COc1cnc(CCNC(=O)NCC(OC)OC)cc1OC1CCCC1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 10/20 0.41
PDE4B Q07343 10/20 0.41
PDE4C Q08493 8/20 0.41
PDE4D Q08499 8/20 0.41
QPCT Q16769 2/20 0.41
MEN1 O00255 1/20 0.38
EPHX1 P07099 1/20 0.38
KMT2A Q03164 1/20 0.38
POLB P06746 1/20 0.38

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
SCHEMBL7149989 0.84 PDE4B (0.47) PDE4APDE4BPDE4CPDE4DQPCT
SCHEMBL7318151 0.75 PDE4B (0.48) PDE4APDE4BPDE4CPDE4D
SCHEMBL6606569 0.75 PDE4B (0.50) PDE4APDE4BPDE4CPDE4DPOLB
SCHEMBL7325457 0.74 PDE4B (0.51) PDE4APDE4BPDE4CPDE4DPOLB
SCHEMBL72368 0.74 PDE4A (0.50) PDE4APDE4BPDE4CPDE4DMEN1
SCHEMBL7148673 0.73 ACACB (0.41) PDE4APDE4BPDE4CPDE4DQPCT
SCHEMBL7148127 0.73 PDE4A (0.47) PDE4APDE4BPDE4CPDE4DMEN1
SCHEMBL7315822 0.72 PDE4B (0.55) PDE4APDE4BPDE4CPDE4DMEN1
SCHEMBL7321805 0.72 PDE4B (0.48) PDE4APDE4BPDE4CPDE4DPOLB
SCHEMBL7610852 0.71 PDE4A (0.48) PDE4APDE4BPDE4CPDE4DPOLB

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