SCHEMBL6876771

SCHEMBL6876771

COc1ccc(C2=NN(C3CCCCCC3)C(=O)[C@H]3CC=CC[C@@H]23)c2c1OC(C)(C)C2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 18/20 1.00
PDE4D Q08499 15/20 1.00
PDE4A P27815 14/20 1.00
PDE4C Q08493 14/20 1.00
PDE7A Q13946 2/20 0.55
PDE3B Q13370 1/20 0.55
PDE3A Q14432 1/20 0.55

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
SCHEMBL6876779 1.00 PDE4B (1.00) PDE4BPDE4DPDE4APDE4CPDE7A
SCHEMBL6876774 1.00 PDE4B (1.00) PDE4BPDE4DPDE4APDE4CPDE7A
SCHEMBL6453683 0.91 PDE4B (0.84) PDE4BPDE4DPDE4APDE4CPDE7A
SCHEMBL5557664 0.91 PDE4B (0.84) PDE4BPDE4DPDE4APDE4CPDE7A
SCHEMBL6453687 0.91 PDE4B (0.84) PDE4BPDE4DPDE4APDE4CPDE7A
SCHEMBL5557668 0.91 PDE4B (0.84) PDE4BPDE4DPDE4APDE4CPDE7A
Hydrochloric Acid SCHEMBL4015397 0.90 PDE4B (0.82) PDE4BPDE4DPDE4APDE4CPDE7A
Hydrochloric Acid SCHEMBL4015390 0.90 PDE4B (0.82) PDE4BPDE4DPDE4APDE4CPDE7A
Hydrochloric Acid SCHEMBL4015395 0.90 PDE4B (0.82) PDE4BPDE4DPDE4APDE4CPDE7A
SCHEMBL6244831 0.88 PDE4D (0.79) PDE4BPDE4DPDE4APDE4C

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-1042319-B1 DIHYDROBENZOFURANS ALTANA PHARMA AG (DE) 2004-02-04 EP disclosed
US-6380196-B1 BRONCHIAL THERAPEUTICS, BRONCHIAL DILATORS BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 2002-04-30 US disclosed