SCHEMBL14575650

SCHEMBL14575650

COc1ccc([C@@H]2CN(Cc3ccccc3)C[C@@]2(C)CO)cc1OC1CCCC1

nearest known ligand 0.65

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 18/20 0.65
PDE4A P27815 7/20 0.65
PDE4C Q08493 5/20 0.65
PDE4D Q08499 5/20 0.65
PDE7A Q13946 1/20 0.49

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
SCHEMBL4535432 1.00 PDE4B (0.65) PDE4BPDE4APDE4CPDE4DPDE7A
SCHEMBL7626678 0.93 PDE4B (0.56) PDE4BPDE4APDE4CPDE4DPDE7A
SCHEMBL7617484 0.89 PDE4B (0.57) PDE4BPDE4APDE4CPDE4DPDE7A
SCHEMBL5351649 0.86 PDE4A (0.54) PDE4BPDE4APDE4CPDE4DPDE7A
SCHEMBL14575983 0.86 PDE4A (0.54) PDE4BPDE4APDE4CPDE4DPDE7A
SCHEMBL5358600 0.86 PDE4A (0.54) PDE4BPDE4APDE4CPDE4DPDE7A
SCHEMBL5358605 0.86 PDE4A (0.54) PDE4BPDE4APDE4CPDE4DPDE7A
SCHEMBL5354647 0.86 PDE4B (0.58) PDE4BPDE4APDE4CPDE4DPDE7A
SCHEMBL7624779 0.86 PDE4B (0.58) PDE4BPDE4APDE4CPDE4DPDE7A
SCHEMBL5351643 0.86 PDE4A (0.54) PDE4BPDE4APDE4CPDE4DPDE7A

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
US-7176229-B2 Cyclic AMP-specific phosphodiesterase inhibitors ICOS CORPORATION (US) 2007-02-13 US disclosed
US-7176229-B2 Cyclic AMP-specific phosphodiesterase inhibitors ICOS CORPORATION (US) 2007-02-13 US disclosed