SCHEMBL7734786

SCHEMBL7734786

COc1ccc(CCc2nc3cc(Cl)cc(C#CCO)c3o2)cc1OC1CCCC1

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 6/20 0.41
PDE4A P27815 13/20 0.40
PDE4D Q08499 4/20 0.40
PDE4C Q08493 3/20 0.40
SSTR5 P35346 1/20 0.38
RECQL P46063 1/20 0.37

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
SCHEMBL7734840 0.92 PDE4A (0.40) PDE4BPDE4APDE4DPDE4CSSTR5
SCHEMBL7737479 0.84 PDE4A (0.45) PDE4BPDE4APDE4DPDE4C
SCHEMBL3615395 0.83 PDE4B (0.46) PDE4BPDE4APDE4DPDE4CSSTR5
SCHEMBL7724848 0.83 PDE4B (0.42) PDE4BPDE4APDE4DPDE4CSSTR5
SCHEMBL7734760 0.81 MAPT (0.42)
SCHEMBL7734780 0.81 PDE4A (0.44) PDE4BPDE4APDE4DPDE4C
SCHEMBL7733871 0.78 RECQL (0.41) PDE4BPDE4APDE4DPDE4CSSTR5
SCHEMBL8326223 0.77 PDE4B (0.44) PDE4BPDE4APDE4DPDE4CSSTR5
SCHEMBL7733891 0.76 PDE4A (0.40) PDE4BPDE4APDE4DPDE4CSSTR5
SCHEMBL7733947 0.75 PDE4A (0.43) PDE4BPDE4APDE4DPDE4CSSTR5

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-6372770-B1 TREATING A MAMMAL SUFFERING FROM A DISEASE STATE SELECTED FROM THE GROUP CONSISTING OF ASTHMA, ALLERGIES, INFLAMMATION, DEPRESSION, DEMENTIA, ATOPIC DISEASES, RHINITIS AND DISEASE STATES ASSOCIATED WITH ABNORMALLY HIGH PHYSIOLOGICAL LEVELS OF EURO-CELTIQUE, S.A. 2002-04-16 US claimed