SCHEMBL6221652

SCHEMBL6221652

O=CC(=O)N(c1c(Cl)cccc1Cl)c1cn(Cc2ccc(Cl)cc2)c2ncccc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 4/20 0.44
▸ CNR2 P34972 4/20 0.44
▸ PDE4A P27815 1/20 0.42
▸ PDE4B Q07343 1/20 0.42
▸ PDE4C Q08493 1/20 0.42
▸ PDE4D Q08499 1/20 0.42
▸ PTGDR2 Q9Y5Y4 1/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ APP P05067 3/20 0.38
▸ SNCA P37840 3/20 0.38
▸ TP53 P04637 1/20 0.37
▸ HTR6 P50406 1/20 0.36
▸ EP300 Q09472 1/20 0.35
▸ CREBBP Q92793 1/20 0.35
▸ KAT2A Q92830 1/20 0.35
▸ KAT2B Q92831 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ THRB P10828 1/20 0.35

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) CNR1CNR2PDE4APDE4BPDE4C
SCHEMBL6221877 0.86 PDE4A (0.47) CNR1CNR2PDE4APDE4BPDE4C
SCHEMBL6224031 0.86 CNR1 (0.42) CNR1CNR2PDE4APDE4BPDE4C
SCHEMBL6223092 0.86 PDE4A (0.46) CNR1CNR2PDE4APDE4BPDE4C
SCHEMBL6224864 0.85 PDE4A (0.57) CNR1CNR2PDE4APDE4BPDE4C
SCHEMBL6224573 0.83 PDE4A (0.44) CNR1CNR2PDE4APDE4BPDE4C
SCHEMBL6222086 0.83 PDE4A (0.44) CNR1CNR2PDE4APDE4BPDE4C
SCHEMBL6223444 0.80 PDE4A (0.44) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL6222256 0.80 PDE4A (0.41) CNR1CNR2PDE4APDE4BPDE4C
SCHEMBL6222412 0.78 PDE4A (0.39) PDE4APDE4BPDE4CPDE4DPTGDR2

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
Send feedback