SCHEMBL6223444

SCHEMBL6223444

COc1cccc(Cn2cc(N(C(=O)C=O)c3c(Cl)cncc3Cl)c3cccnc32)c1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PDE4A P27815 2/20 0.44
▸ PDE4B Q07343 2/20 0.44
▸ PDE4C Q08493 2/20 0.44
▸ PDE4D Q08499 2/20 0.44
▸ MAPT P10636 4/20 0.44
▸ THRB P10828 2/20 0.44
▸ ALDH1A1 P00352 2/20 0.40
▸ KAT2B Q92831 1/20 0.40
▸ ROCK2 O75116 3/20 0.39
▸ ADRA1D P25100 1/20 0.39
▸ ENPP2 Q13822 1/20 0.38
▸ PPARG P37231 2/20 0.38
▸ P2RX7 Q99572 2/20 0.37
▸ TP53 P04637 1/20 0.37
▸ ROCK1 Q13464 2/20 0.37
▸ LIPG Q9Y5X9 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ GAA P10253 1/20 0.37

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
SCHEMBL6222086 0.91 PDE4A (0.44) PDE4APDE4BPDE4CPDE4DMAPT
SCHEMBL6224573 0.88 PDE4A (0.44) PDE4APDE4BPDE4CPDE4D
SCHEMBL6223092 0.86 PDE4A (0.46) PDE4APDE4BPDE4CPDE4DENPP2
SCHEMBL6221716 0.85 PDE4A (0.47) PDE4APDE4BPDE4CPDE4DMAPT
SCHEMBL6221877 0.84 PDE4A (0.47) PDE4APDE4BPDE4CPDE4DENPP2
SCHEMBL6224864 0.83 PDE4A (0.57) PDE4APDE4BPDE4CPDE4DMAPT
SCHEMBL6220894 0.82 CNR2 (0.46) PDE4APDE4BPDE4CPDE4D
SCHEMBL6222412 0.81 PDE4A (0.39) PDE4APDE4BPDE4CPDE4DKDM4E
SCHEMBL6221652 0.80 CNR1 (0.44) PDE4APDE4BPDE4CPDE4DMAPT
SCHEMBL6222256 0.80 PDE4A (0.41) PDE4APDE4BPDE4CPDE4DMAPT

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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