SCHEMBL7148673

SCHEMBL7148673

COC(CNC(=O)NCC(C)c1cc(OC2CCCC2)c(O)cn1)OC

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ACACB O00763 9/20 0.41
PDE4A P27815 7/20 0.37
PDE4B Q07343 7/20 0.37
PDE4C Q08493 7/20 0.37
PDE4D Q08499 7/20 0.37
QPCT Q16769 2/20 0.35

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
SCHEMBL7144111 0.77 PDE4A (0.36) PDE4APDE4BPDE4CPDE4D
SCHEMBL7325457 0.76 PDE4B (0.51) PDE4APDE4BPDE4CPDE4D
SCHEMBL7150868 0.76 PDE4B (0.39) PDE4APDE4BPDE4CPDE4D
SCHEMBL7144848 0.73 PDE4A (0.41) PDE4APDE4BPDE4CPDE4DQPCT
SCHEMBL7318151 0.71 PDE4B (0.48) PDE4APDE4BPDE4CPDE4D
SCHEMBL7146511 0.70 PDE4B (0.59) PDE4B
SCHEMBL7148096 0.69 PDE4B (0.40) ACACBPDE4APDE4BPDE4CPDE4D
SCHEMBL7610852 0.69 PDE4A (0.48) PDE4APDE4BPDE4CPDE4D
SCHEMBL7315822 0.67 PDE4B (0.55) PDE4APDE4BPDE4CPDE4D
SCHEMBL7321805 0.67 PDE4B (0.48) PDE4APDE4BPDE4CPDE4D

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