SCHEMBL6223554

SCHEMBL6223554

O=C(Nc1c(Cl)cncc1Cl)Oc1cn(CC2CC2)c2ncccc12

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PDE4A P27815 10/20 0.47
▸ PDE4B Q07343 10/20 0.47
▸ PDE4C Q08493 9/20 0.47
▸ PDE4D Q08499 9/20 0.47
▸ KCNH2 Q12809 1/20 0.45
▸ ABCB11 O95342 1/20 0.38
▸ ELANE P08246 3/20 0.34
▸ PIK3C3 Q8NEB9 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ HSP90AA1 P07900 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ HSD17B13 Q7Z5P4 1/20 0.34
▸ F10 P00742 1/20 0.34

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
SCHEMBL6220300 0.84 PDE4A (0.58) PDE4APDE4BPDE4CPDE4DKCNH2
SCHEMBL5552779 0.84 PDE4A (0.55) PDE4APDE4BPDE4CPDE4DKCNH2
SCHEMBL6223184 0.83 PDE4A (0.48) PDE4APDE4BPDE4CPDE4DKCNH2
SCHEMBL5557051 0.82 PDE4A (0.69) PDE4APDE4BPDE4CPDE4DKCNH2
SCHEMBL6221453 0.82 PDE4A (0.70) PDE4APDE4BPDE4CPDE4DKCNH2
SCHEMBL6223368 0.81 HTR3A (0.40) ELANE
SCHEMBL6224705 0.81 PDE4A (0.49) PDE4APDE4BPDE4CPDE4DKCNH2
SCHEMBL6223648 0.80 PDE4A (0.56) PDE4APDE4BPDE4CPDE4DKCNH2
SCHEMBL6223244 0.80 EPHX1 (0.40) MAPTKMT2ANPSR1
SCHEMBL6223291 0.80 HTR3A (0.39) ELANE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1330455-B1 NOVEL 7-AZAINDOLES, USE THEREOF AS PHOSPHODIESTERASE 4 INHIBITORS AND METHOD FOR PRODUCING THE SAME ELBION AG (DE) 2005-08-03 — — EP claimed
EP-1330455-A1 NOVEL 7-AZAINDOLES, USE THEREOF AS PHOSPHODIESTERASE 4 INHIBITORS AND METHOD FOR PRODUCING THE SAME Elbion AG (DE) 2003-07-30 — — EP claimed
WO-2002034747-A1 NOVEL 7-AZAINDOLES, USE THEREOF AS PHOSPHODIESTERASE 4 INHIBITORS AND METHOD FOR PRODUCING THE SAME ELBION AG (DE) 2002-05-02 — — WO claimed
EP-1330455-B1 NOVEL 7-AZAINDOLES, USE THEREOF AS PHOSPHODIESTERASE 4 INHIBITORS AND METHOD FOR PRODUCING THE SAME ELBION AG (DE) 2005-08-03 — — EP disclosed
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