SCHEMBL7355422

SCHEMBL7355422

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

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 14/20 0.47
PDE4B Q07343 13/20 0.47
PDE4A P27815 13/20 0.47
PDE4C Q08493 10/20 0.47
PDE5A O76074 1/20 0.39

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
SCHEMBL7355428 0.84 PDE4D (0.47) PDE4DPDE4BPDE4APDE4CPDE5A
SCHEMBL7361035 0.81 PDE4D (0.52) PDE4DPDE4BPDE4APDE4C
SCHEMBL7976207 0.81 PDE4D (0.48) PDE4DPDE4BPDE4APDE4CPDE5A
SCHEMBL2906067 0.74 PDE5A (0.49) PDE4DPDE4BPDE4APDE4CPDE5A
SCHEMBL71976 0.74 PDE4A (0.54) PDE4DPDE4BPDE4APDE4C
SCHEMBL71378 0.70 PDE4A (0.52) PDE4DPDE4BPDE4APDE4C
SCHEMBL6865665 0.70 PDE4A (0.55) PDE4DPDE4BPDE4APDE4C
SCHEMBL19548276 0.69 HTT (0.48)
SCHEMBL1389102 0.69 PDE4A (0.56) PDE4DPDE4BPDE4APDE4C
SCHEMBL7353299 0.69 PDE4D (0.52) 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 3 patents. 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
EP-1060173-A2 BENZAZINE DERIVATIVES PHOSPHODIESTERASE 4 INHIBITORS ZAMBON GROUP S.p.A. (IT) 2000-12-20 EP disclosed
WO-1999032449-A2 BENZAZINE DERIVATIVES AS PHOSPHODIESTERASE 4 INHIBITORS ZAMBON GROUP S.P.A. (IT) 1999-07-01 WO disclosed