SCHEMBL6222681

SCHEMBL6222681

O=CC(=O)N(c1c(Cl)cncc1Cl)c1cn(CC2CC2)c2ncccc12

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ PDE4A P27815 3/20 0.37
▸ PDE4B Q07343 2/20 0.37
▸ PDE4C Q08493 2/20 0.37
▸ PDE4D Q08499 2/20 0.37
▸ CNR1 P21554 5/20 0.34
▸ CNR2 P34972 4/20 0.34
▸ ELANE P08246 7/20 0.33
▸ KCNH2 Q12809 1/20 0.33
▸ TGM2 P21980 1/20 0.33
▸ P2RX7 Q99572 1/20 0.32
▸ HTR5A P47898 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
SCHEMBL6223092 0.84 PDE4A (0.46) PDE4APDE4BPDE4CPDE4DCNR1
SCHEMBL6221716 0.83 PDE4A (0.47) PDE4APDE4BPDE4CPDE4DCNR1
SCHEMBL6221877 0.83 PDE4A (0.47) PDE4APDE4BPDE4CPDE4DCNR1
SCHEMBL6222412 0.83 PDE4A (0.39) PDE4APDE4BPDE4CPDE4DELANE
SCHEMBL6224864 0.82 PDE4A (0.57) PDE4APDE4BPDE4CPDE4DCNR1
SCHEMBL6220894 0.82 CNR2 (0.46) PDE4APDE4BPDE4CPDE4DCNR1
SCHEMBL6222256 0.80 PDE4A (0.41) PDE4APDE4BPDE4CPDE4DCNR1
SCHEMBL6222086 0.80 PDE4A (0.44) PDE4APDE4BPDE4CPDE4DCNR1
SCHEMBL6224573 0.80 PDE4A (0.44) PDE4APDE4BPDE4CPDE4DCNR1
SCHEMBL6222570 0.78 PDE4A (0.42) PDE4APDE4BPDE4CPDE4DP2RX7

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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