SCHEMBL6870967

SCHEMBL6870967

COc1ccc(C2(C#N)CCC(C(N)=O)CC2)c2nc(C(C)C)oc12

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PDE4B Q07343 10/20 0.40
▸ PDE4A P27815 9/20 0.40
▸ PDE4C Q08493 9/20 0.40
▸ PDE4D Q08499 9/20 0.40
▸ KDM4E B2RXH2 4/20 0.40
▸ ALDH1A1 P00352 4/20 0.40
▸ HPGD P15428 3/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ HTT P42858 1/20 0.38
▸ MAPT P10636 3/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ KMT2A Q03164 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
SCHEMBL6870961 1.00 PDE4B (0.40) PDE4BPDE4APDE4CPDE4DKDM4E
SCHEMBL6870965 1.00 PDE4B (0.40) PDE4BPDE4APDE4CPDE4DKDM4E
SCHEMBL6871721 0.92 PDE4B (0.46) PDE4BPDE4APDE4CPDE4DKDM4E
SCHEMBL6871724 0.92 PDE4B (0.46) PDE4BPDE4APDE4CPDE4DKDM4E
SCHEMBL6871720 0.92 PDE4B (0.46) PDE4BPDE4APDE4CPDE4DKDM4E
SCHEMBL6869157 0.91 PDE4B (0.38) PDE4BPDE4APDE4CPDE4DKDM4E
SCHEMBL6869154 0.91 PDE4B (0.38) PDE4BPDE4APDE4CPDE4DKDM4E
SCHEMBL6869160 0.91 PDE4B (0.38) PDE4BPDE4APDE4CPDE4DKDM4E
SCHEMBL6867957 0.88 PDE4B (0.32) PDE4BPDE4APDE4CPDE4DMAPT
SCHEMBL6867958 0.88 PDE4B (0.32) PDE4BPDE4APDE4CPDE4DMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1095040-B1 NEW BENZOXAZOLES WITH PDE-INHIBITING ACTIVITY ALTANA PHARMA AG (DE) 2004-03-31 — — EP disclosed
US-6376485-B1 SELECTIVE PHOSPHODIESTERASE INHIBITORS FOR TREATING ASTHMA, BRONCHITIS, AND EMPHYSEMA; HIGH BIOAVAILABILITY AND LOW TOXICITY BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 2002-04-23 — — US disclosed
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