SCHEMBL11625752

SCHEMBL11625752

COc1ccc(C2CCCN(C(C)=O)C2)cc1OC

nearest known ligand 0.72

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 19/20 0.72
QDPR P09417 1/20 0.59
PDE4A P27815 2/20 0.57
PDE4C Q08493 2/20 0.57
PDE4D Q08499 2/20 0.57

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
SCHEMBL3315662 0.88 PDE4B (0.61) PDE4BQDPRPDE4APDE4CPDE4D
SCHEMBL11624456 0.86 PDE4B (0.61) PDE4BPDE4APDE4CPDE4D
SCHEMBL7743993 0.84 PDE4B (1.00) PDE4BPDE4APDE4CPDE4D
SCHEMBL21051331 0.82 ALDH1A1 (0.66) PDE4B
Hydrochloric Acid SCHEMBL11627075 0.79 SLC6A2 (0.54) PDE4BQDPRPDE4APDE4CPDE4D
Bicarbonate SCHEMBL9574485 0.78 PDE4B (0.60) PDE4BQDPRPDE4APDE4CPDE4D
SCHEMBL11625021 0.78 DRD2 (0.53) PDE4B
SCHEMBL21051478 0.77 QDPR (0.48) PDE4BQDPR
SCHEMBL21051299 0.77 QDPR (0.48) PDE4BQDPR
SCHEMBL21051300 0.77 QDPR (0.48) PDE4BQDPR

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4072685-A HYPOTENSIVE AGENTS ROUSSEL UCLAF (FR) 1978-02-07 US disclosed