SCHEMBL7984019

SCHEMBL7984019

CCc1nn(C2CCCC2)c2cc(-c3cccs3)ccc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 7/20 0.50
PDE4B Q07343 7/20 0.50
PDE4D Q08499 7/20 0.50
ADORA3 P0DMS8 1/20 0.50
ADORA2A P29274 1/20 0.50
ADORA1 P30542 1/20 0.50
PDE4C Q08493 6/20 0.44
KHK P50053 3/20 0.39
CHEK1 O14757 3/20 0.38
HTR1D P28221 1/20 0.36
HTR1B P28222 1/20 0.36
ESR1 P03372 1/20 0.35
KDM4E B2RXH2 1/20 0.35
GAA P10253 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
APOBEC3G Q9HC16 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
HDAC3 O15379 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35

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
SCHEMBL7987557 0.82 KHK (0.52) PDE4APDE4BPDE4DPDE4CKHK
SCHEMBL27428244 0.79 ESR1 (0.40) PDE4APDE4BPDE4DADORA3ADORA2A
SCHEMBL3600682 0.76 PIK3CD (0.42) PDE4APDE4BPDE4DPDE4CKHK
SCHEMBL683162 0.75 ESR1 (0.40) PDE4APDE4BPDE4DADORA3ADORA2A
SCHEMBL3167730 0.75 PDE4A (0.41) PDE4APDE4BPDE4DADORA3ADORA2A
SCHEMBL3600710 0.75 KHK (0.39) PDE4APDE4BPDE4DPDE4CKHK
SCHEMBL6796557 0.74 PTGDR2 (0.47) PDE4APDE4BPDE4DPDE4CESR1
SCHEMBL6185088 0.74 ESR1 (0.42) PDE4APDE4BPDE4DADORA3ADORA2A
SCHEMBL27540455 0.73 PDE4A (0.45) PDE4APDE4BPDE4DADORA3ADORA2A
SCHEMBL3602939 0.73 ESR1 (0.41) PDE4APDE4BPDE4DPDE4CESR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-6262040-B1 Indazole derivatives and their use as inhibitors of phosphodiesterase (PDE) type IV and the production of tumor necrosis factor (TNF) PFIZER INC 2001-07-17 US disclosed