SCHEMBL7976207

SCHEMBL7976207

COc1cc([N+](=O)[O-])c(C(=O)CCc2c(Cl)cncc2Cl)cc1OC1CCCC1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 11/20 0.48
PDE4B Q07343 10/20 0.48
PDE4A P27815 9/20 0.48
PDE4C Q08493 9/20 0.48
LMNA P02545 1/20 0.42
PDE5A O76074 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.39
HTT P42858 1/20 0.38
POLB P06746 1/20 0.38
NTSR1 P30989 1/20 0.38
RAB9A P51151 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
SCHEMBL7353299 0.85 PDE4D (0.52) PDE4DPDE4BPDE4APDE4C
SCHEMBL7355422 0.81 PDE4D (0.47) PDE4DPDE4BPDE4APDE4CPDE5A
SCHEMBL7354873 0.81 PDE4D (0.62) PDE4DPDE4BPDE4APDE4C
SCHEMBL7355428 0.77 PDE4D (0.47) PDE4DPDE4BPDE4APDE4CPDE5A
SCHEMBL20631457 0.76 PDE5A (0.52) PDE4DPDE4BPDE4APDE4CLMNA
SCHEMBL22065381 0.76 PDE5A (0.52) PDE4DPDE4BPDE4APDE4CLMNA
SCHEMBL2906067 0.75 PDE5A (0.49) PDE4DPDE4BPDE4APDE4CLMNA
SCHEMBL71498 0.75 PDE4D (0.64) PDE4DPDE4BPDE4APDE4C
SCHEMBL7360943 0.74 PDE4D (0.66) PDE4DPDE4BPDE4APDE4C
SCHEMBL71286 0.71 PDE4D (0.61) PDE4DPDE4BPDE4APDE4C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6297257-B1 Benzazine derivatives phosphodiesterase 4 inhibitors ZAMBON GROUP S.P.A. (IT) 2001-10-02 US disclosed