SCHEMBL7724826

SCHEMBL7724826

COc1ccc(Cc2nc3cccc(NCc4ncc[nH]4)c3o2)cc1OC1CCCC1

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 13/20 0.42
PDE4B Q07343 7/20 0.42
PDE4D Q08499 6/20 0.42
PDE4C Q08493 5/20 0.42
SSTR5 P35346 1/20 0.41
POLB P06746 1/20 0.38
RECQL P46063 1/20 0.37
BRD4 O60885 1/20 0.36

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
SCHEMBL7725505 0.85 PDE4A (0.49) PDE4APDE4BPDE4DPDE4CSSTR5
SCHEMBL8325337 0.85 PDE4A (0.48) PDE4APDE4BPDE4DPDE4CSSTR5
SCHEMBL7724823 0.81 PDE4A (0.42) PDE4APDE4BPDE4DPDE4CSSTR5
SCHEMBL6971404 0.79 PDE4D (0.47) PDE4APDE4BPDE4DPDE4CSSTR5
SCHEMBL7724896 0.78 PDE4A (0.47) PDE4APDE4BPDE4DPDE4CSSTR5
SCHEMBL6974761 0.78 PDE4A (0.47) PDE4APDE4BPDE4DPDE4CSSTR5
SCHEMBL7734051 0.78 PDE4D (0.49) PDE4APDE4BPDE4DPDE4C
Hydrochloric Acid SCHEMBL7724907 0.78 PDE4A (0.46) PDE4APDE4BPDE4DPDE4CSSTR5
Hydrochloric Acid SCHEMBL7734781 0.77 PDE4D (0.49) PDE4APDE4BPDE4DPDE4C
SCHEMBL13350324 0.77 PDE4A (0.46) PDE4APDE4BPDE4DPDE4CSSTR5

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 9 patents. 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 disclosed
EP-0785927-A4 NOVEL BENZOXAZOLES EURO CELTIQUE SA (LU) 1997-12-29 EP disclosed
EP-0785927-A1 NOVEL BENZOXAZOLES Euroceltique S.A. (LU) 1997-07-30 EP disclosed
EP-0485636-B1 INDOLE DERIVATIVE TORAY INDUSTRIES (JP) 1997-03-12 EP disclosed
EP-0735026-A1 Method for the production of isoquinoline derivatives and their use as intermediates in the preparation of indole derivatives TORAY INDUSTRIES, INC. (JP) 1996-10-02 EP disclosed
US-5539119-A MULTISTAGE FORMATION BY OXIDATION, REDUCING A CARBAMATE TO FORM AN ENAMINE, FORMING AN OXIDE TORAY INDUSTRIES, INC. (JP) 1996-07-23 US disclosed
WO-1996011917-A1 NOVEL BENZOXAZOLES EURO-CELTIQUE, S.A. (LU) 1996-04-25 WO disclosed
US-5244904-A Immunorepressant, analgesic TORAY INDUSTRIES, INC. (JP) 1993-09-14 US disclosed
EP-0485636-A1 INDOLE DERIVATIVE TORAY INDUSTRIES, INC. (JP) 1992-05-20 EP disclosed