SCHEMBL6571638

SCHEMBL6571638

COc1ccc(Nc2n[nH]cc2CO)cc1OC1CCCC1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.50
EPHA2 P29317 1/20 0.44
KDR P35968 1/20 0.44
EPHB4 P54760 1/20 0.44
QPCT Q16769 2/20 0.43
PDE4D Q08499 9/20 0.43
PDE4B Q07343 8/20 0.43
PDE4A P27815 8/20 0.43
PDE4C Q08493 7/20 0.43
RECQL P46063 1/20 0.41
METAP2 P50579 1/20 0.41
EPHX2 P34913 1/20 0.41

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
SCHEMBL2467226 0.84 RECQL (0.53) POLBPDE4DPDE4BPDE4APDE4C
SCHEMBL7420665 0.76 PDE4B (0.48) POLBPDE4DPDE4BPDE4APDE4C
SCHEMBL7420478 0.75 PDE4B (0.48) PDE4DPDE4BPDE4APDE4C
SCHEMBL7420475 0.75 PDE4B (0.47) PDE4DPDE4BPDE4APDE4CEPHX2
SCHEMBL1157799 0.74 POLB (0.55) POLBPDE4DPDE4BPDE4APDE4C
SCHEMBL7940494 0.74 RECQL (0.43) POLBPDE4DPDE4BPDE4APDE4C
SCHEMBL7418284 0.73 RECQL (0.47) PDE4DPDE4BPDE4APDE4CRECQL
SCHEMBL1157461 0.73 POLB (0.54) POLBPDE4DPDE4BPDE4APDE4C
SCHEMBL1157480 0.73 PDE4A (0.57) POLBPDE4DPDE4BPDE4APDE4C
SCHEMBL1157367 0.72 PDE4A (0.62) POLBPDE4DPDE4BPDE4APDE4C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1429843-A2 COMBINATION OF A PDE INHIBITOR AND A LEUKOTRIENE RECEPTOR ANTAGONIST ALTANA Pharma AG (DE) 2004-06-23 EP disclosed
WO-2003024488-A2 COMBINATION OF A PDE INHIBITOR AND A LEUKOTRIENE RECEPTOR ANTAGONIST ALTANA PHARMA AG (DE) 2003-03-27 WO disclosed