SCHEMBL6869160

SCHEMBL6869160

COC(=O)C1CCC(C#N)(c2ccc(OC)c3oc(C(C)C)nc23)CC1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PDE4B Q07343 9/20 0.38
▸ PDE4A P27815 8/20 0.38
▸ PDE4C Q08493 8/20 0.38
▸ PDE4D Q08499 8/20 0.38
▸ MAPT P10636 2/20 0.34
▸ ALDH1A1 P00352 3/20 0.32
▸ ACACB O00763 2/20 0.32
▸ KDM4E B2RXH2 2/20 0.32
▸ HPGD P15428 2/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ MTNR1A P48039 1/20 0.32
▸ MTNR1B P49286 1/20 0.32
▸ S1PR1 P21453 1/20 0.32
▸ TSHR P16473 1/20 0.31
▸ HSD17B10 Q99714 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
SCHEMBL6869157 1.00 PDE4B (0.38) PDE4BPDE4APDE4CPDE4DMAPT
SCHEMBL6869154 1.00 PDE4B (0.38) PDE4BPDE4APDE4CPDE4DMAPT
SCHEMBL6871724 0.91 PDE4B (0.46) PDE4BPDE4APDE4CPDE4DMAPT
SCHEMBL6870965 0.91 PDE4B (0.40) PDE4BPDE4APDE4CPDE4DMAPT
SCHEMBL6870961 0.91 PDE4B (0.40) PDE4BPDE4APDE4CPDE4DMAPT
SCHEMBL6870967 0.91 PDE4B (0.40) PDE4BPDE4APDE4CPDE4DMAPT
SCHEMBL6871720 0.91 PDE4B (0.46) PDE4BPDE4APDE4CPDE4DMAPT
SCHEMBL6871721 0.91 PDE4B (0.46) PDE4BPDE4APDE4CPDE4DMAPT
SCHEMBL6867957 0.87 PDE4B (0.32) PDE4BPDE4APDE4CPDE4DMAPT
SCHEMBL6867953 0.87 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 3 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
EP-1095040-A1 NEW BENZOXAZOLES WITH PDE-INHIBITING ACTIVITY Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 2001-05-02 — — EP disclosed
WO-2000001695-A1 NEW BENZOXAZOLES WITH PDE-INHIBITING ACTIVITY BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 2000-01-13 — — WO disclosed
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