SCHEMBL6221877

SCHEMBL6221877

O=CC(=O)N(c1c(Cl)cncc1Cl)c1cn(Cc2ccc(O)cc2)c2ncccc12

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PDE4A P27815 4/20 0.47
▸ PDE4B Q07343 3/20 0.47
▸ PDE4C Q08493 3/20 0.47
▸ PDE4D Q08499 3/20 0.47
▸ CNR1 P21554 4/20 0.37
▸ CNR2 P34972 4/20 0.37
▸ APP P05067 3/20 0.37
▸ SNCA P37840 3/20 0.37
▸ KCNH2 Q12809 1/20 0.35
▸ ENPP2 Q13822 1/20 0.34
▸ SLC22A12 Q96S37 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ PABPC1 P11940 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ PTGDR2 Q9Y5Y4 2/20 0.32
▸ DNTT P04053 1/20 0.32

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
SCHEMBL6221716 0.93 PDE4A (0.47) PDE4APDE4BPDE4CPDE4DCNR1
SCHEMBL6223092 0.92 PDE4A (0.46) PDE4APDE4BPDE4CPDE4DCNR1
SCHEMBL6224864 0.91 PDE4A (0.57) PDE4APDE4BPDE4CPDE4DCNR1
SCHEMBL6224573 0.91 PDE4A (0.44) PDE4APDE4BPDE4CPDE4DCNR1
SCHEMBL6222086 0.89 PDE4A (0.44) PDE4APDE4BPDE4CPDE4DCNR1
SCHEMBL6221652 0.86 CNR1 (0.44) PDE4APDE4BPDE4CPDE4DCNR1
SCHEMBL6222412 0.85 PDE4A (0.39) PDE4APDE4BPDE4CPDE4DAPP
SCHEMBL6222256 0.84 PDE4A (0.41) PDE4APDE4BPDE4CPDE4DCNR1
SCHEMBL6223444 0.84 PDE4A (0.44) PDE4APDE4BPDE4CPDE4DENPP2
SCHEMBL6222681 0.83 PDE4A (0.37) PDE4APDE4BPDE4CPDE4DCNR1

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
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
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