SCHEMBL7724896

SCHEMBL7724896

COc1ccc(Cc2nc3cccc(Br)c3o2)cc1OC1CCCC1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 12/20 0.47
PDE4D Q08499 3/20 0.47
PDE4B Q07343 3/20 0.47
PDE4C Q08493 2/20 0.47
SSTR5 P35346 1/20 0.47
ALDH1A1 P00352 1/20 0.41
POLB P06746 1/20 0.41
MAPT P10636 1/20 0.41
TSHR P16473 1/20 0.41
RAB9A P51151 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
S1PR1 P21453 1/20 0.40
S1PR3 Q99500 1/20 0.40

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
SCHEMBL6974761 0.88 PDE4A (0.47) PDE4APDE4DPDE4BPDE4CSSTR5
Hydrochloric Acid SCHEMBL7724907 0.87 PDE4A (0.46) PDE4APDE4DPDE4BPDE4CSSTR5
SCHEMBL8325337 0.87 PDE4A (0.48) PDE4APDE4DPDE4BPDE4CSSTR5
SCHEMBL13350324 0.86 PDE4A (0.46) PDE4APDE4DPDE4BPDE4CSSTR5
SCHEMBL7733947 0.86 PDE4A (0.43) PDE4APDE4DPDE4BPDE4CSSTR5
SCHEMBL8354087 0.85 PDE4A (0.47) PDE4APDE4DPDE4BPDE4CSSTR5
SCHEMBL8324871 0.84 PDE4A (0.46) PDE4APDE4DPDE4BPDE4CSSTR5
SCHEMBL7735162 0.84 PDE5A (0.47) PDE4APDE4DPDE4BPDE4CSSTR5
SCHEMBL7725505 0.79 PDE4A (0.49) PDE4APDE4DPDE4BPDE4CSSTR5
SCHEMBL7725503 0.79 PDE4A (0.45) PDE4APDE4DPDE4BPDE4CSSTR5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0785927-A4 NOVEL BENZOXAZOLES EURO CELTIQUE SA (LU) 1997-12-29 EP claimed
EP-0785927-A1 NOVEL BENZOXAZOLES Euroceltique S.A. (LU) 1997-07-30 EP claimed
WO-1996011917-A1 NOVEL BENZOXAZOLES EURO-CELTIQUE, S.A. (LU) 1996-04-25 WO claimed
EP-2193808-A1 Synergistic combination Nycomed GmbH (DE) 2010-06-09 EP disclosed
EP-1849468-A2 Pharmaceutical composition of a pde4 or a pde3/4 inhibitor and a histamine receptor antagonist Nycomed GmbH (DE) 2007-10-31 EP disclosed
WO-2004047817-A1 PDE4 AND PDE3/4 INHIBITORS FOR USE IN THE TREATMENT OF CACHEXIA ALTANA PHARMA AG (DE) 2004-06-10 WO disclosed
WO-2003024488-A2 COMBINATION OF A PDE INHIBITOR AND A LEUKOTRIENE RECEPTOR ANTAGONIST ALTANA PHARMA AG (DE) 2003-03-27 WO disclosed
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
WO-1996011917-A1 NOVEL BENZOXAZOLES EURO-CELTIQUE, S.A. (LU) 1996-04-25 WO disclosed