SCHEMBL6867957

SCHEMBL6867957

COc1ccc([C@]2(C#N)CC[C@H](O)CC2)c2nc(C(C)C)oc12

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ PDE4B Q07343 6/20 0.32
▸ PDE4A P27815 5/20 0.32
▸ PDE4C Q08493 5/20 0.32
▸ PDE4D Q08499 5/20 0.32
▸ ADORA2A P29274 1/20 0.32
▸ ADORA2B P29275 1/20 0.32
▸ ADORA1 P30542 1/20 0.32
▸ MAPT P10636 1/20 0.31

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
SCHEMBL6867953 1.00 PDE4B (0.32) PDE4BPDE4APDE4CPDE4DADORA2A
SCHEMBL6867958 1.00 PDE4B (0.32) PDE4BPDE4APDE4CPDE4DADORA2A
SCHEMBL6871721 0.88 PDE4B (0.46) PDE4BPDE4APDE4CPDE4DMAPT
SCHEMBL6871720 0.88 PDE4B (0.46) PDE4BPDE4APDE4CPDE4DMAPT
SCHEMBL6871724 0.88 PDE4B (0.46) PDE4BPDE4APDE4CPDE4DMAPT
SCHEMBL6870967 0.88 PDE4B (0.40) PDE4BPDE4APDE4CPDE4DMAPT
SCHEMBL6870961 0.88 PDE4B (0.40) PDE4BPDE4APDE4CPDE4DMAPT
SCHEMBL6870965 0.88 PDE4B (0.40) PDE4BPDE4APDE4CPDE4DMAPT
SCHEMBL6869154 0.87 PDE4B (0.38) PDE4BPDE4APDE4CPDE4DMAPT
SCHEMBL6869160 0.87 PDE4B (0.38) 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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