SCHEMBL8344453

SCHEMBL8344453

COc1ccc([C@]2(N)CC[C@@H](C(=O)O)CC2)cc1OC1CCCC1

nearest known ligand 0.71

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 18/20 0.71
PDE4D Q08499 18/20 0.71
PDE4A P27815 17/20 0.71
PDE4C Q08493 17/20 0.71
POLB P06746 1/20 0.50
MAPK14 Q16539 1/20 0.48

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
SCHEMBL6322995 0.87 PDE4B (0.74) PDE4BPDE4DPDE4APDE4CPOLB
SCHEMBL6323001 0.87 PDE4B (0.74) PDE4BPDE4DPDE4APDE4CPOLB
SCHEMBL6322447 0.87 PDE4B (0.74) PDE4BPDE4DPDE4APDE4CPOLB
SCHEMBL14473185 0.87 PDE4A (0.76) PDE4BPDE4DPDE4APDE4CPOLB
SCHEMBL13790344 0.87 PDE4A (0.76) PDE4BPDE4DPDE4APDE4CPOLB
SCHEMBL8475654 0.84 PDE4A (0.71) PDE4BPDE4DPDE4APDE4CPOLB
SCHEMBL7359794 0.84 PDE4A (0.71) PDE4BPDE4DPDE4APDE4CPOLB
SCHEMBL7363153 0.84 PDE4B (0.82) PDE4BPDE4DPDE4APDE4C
SCHEMBL84940 0.84 PDE4A (0.69) PDE4BPDE4DPDE4APDE4CPOLB
SCHEMBL7359174 0.84 PDE4B (0.82) 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
WO-2003105902-A1 TREATMENT FOR DEPRESSION AND ANXIETY BY THE COMBINATION OF A PDE IV INHIBITOR AND AN ANTIDEPRESSANT OR AN ANXIOLYTIC AGENT PFIZER PRODUCTS INC. (US) 2003-12-24 WO disclosed
WO-2003105815-A1 COMBINATION OF PDE-V INHIBITORS AND NK1 ANTAGONISTS FOR THE TREATMENT OF DEPRESSION PFIZER PRODUCTS INC. (US) 2003-12-24 WO disclosed