SCHEMBL6533002

SCHEMBL6533002

COc1ccc(N(c2cccc(-c3nn[nH]n3)c2)C(O)c2cccnc2)cc1OC1CCCC1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 12/20 0.46
ALDH1A1 P00352 1/20 0.41
CTSD P07339 2/20 0.41
BACE1 P56817 1/20 0.41
BACE2 Q9Y5Z0 1/20 0.41
PTGDR2 Q9Y5Y4 3/20 0.41
PDE4D Q08499 4/20 0.40
PDE4B Q07343 3/20 0.40
PDE4C Q08493 3/20 0.40
CYP2C8 P10632 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
CYP2A6 P11509 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
SCHEMBL6527339 0.94 PDE4A (0.47) PDE4AALDH1A1PDE4DPDE4BPDE4C
SCHEMBL2924989 0.85 PDE4A (0.46) PDE4AALDH1A1CTSDBACE1BACE2
SCHEMBL1157468 0.84 PDE4A (0.51) PDE4AALDH1A1CTSDBACE1BACE2
SCHEMBL6530112 0.84 PDE4A (0.42) PDE4AALDH1A1PDE4DPDE4BPDE4C
SCHEMBL6465669 0.83 PDE4A (0.51) PDE4APDE4DPDE4BPDE4C
SCHEMBL6469266 0.82 PDE4A (0.49) PDE4APDE4DPDE4BPDE4C
SCHEMBL6528128 0.80 ALDH1A1 (0.41) PDE4AALDH1A1CTSDPDE4DPDE4B
SCHEMBL2924797 0.79 PDE4A (0.47) PDE4AALDH1A1CTSDBACE1BACE2
SCHEMBL1157355 0.79 PDE4A (0.51) PDE4AALDH1A1CTSDBACE1BACE2
SCHEMBL6470116 0.76 PDE4A (0.50) PDE4APDE4DPDE4BPDE4C

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