SCHEMBL6469942

SCHEMBL6469942

OC(c1cccnc1)N(c1ccc(-c2nn[nH]n2)cc1)c1ccc(OC(F)F)c(OCC2CC2)c1

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 18/20 0.48
PDE4A P27815 10/20 0.48
PDE4B Q07343 8/20 0.48
PDE4C Q08493 8/20 0.48
PDE5A O76074 1/20 0.46
ABCB11 O95342 1/20 0.40
ITGA4 P13612 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
SCHEMBL6528128 0.90 ALDH1A1 (0.41) PDE4DPDE4APDE4BPDE4CPDE5A
SCHEMBL2927444 0.85 PDE4D (0.51) PDE4DPDE4APDE4BPDE4CPDE5A
SCHEMBL6466878 0.85 PDE4D (0.55) PDE4DPDE4APDE4BPDE4CPDE5A
SCHEMBL1157901 0.84 PDE4D (0.46) PDE4DPDE4APDE4BPDE4CPDE5A
SCHEMBL2924647 0.81 PDE4D (0.50) PDE4DPDE4APDE4BPDE4CPDE5A
SCHEMBL1157552 0.80 PDE4D (0.46) PDE4DPDE4APDE4BPDE4CPDE5A
SCHEMBL6527339 0.78 PDE4A (0.47) PDE4DPDE4APDE4BPDE4C
SCHEMBL6530112 0.75 PDE4A (0.42) PDE4DPDE4APDE4BPDE4C
SCHEMBL2930572 0.74 ALDH1A1 (0.41) PDE4DPDE4APDE4BPDE4C
SCHEMBL1157804 0.73 FGFR3 (0.42) PDE4DPDE4APDE4BPDE4C

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
EP-1569908-A2 PYRIDINE N-OXIDE COMPOUNDS AS PHOSPHODIESTERASE 4 INHIBITORS Memory Pharmaceutical Corporation (US) 2005-09-07 EP disclosed
WO-2004046113-A2 PYRIDINE N-OXIDE COMPOUNDS AS PHOSPHODIESTERASE 4 INHIBITORS MEMORY PHARMACEUTICALS CORPORATION (US) 2004-06-03 WO disclosed