SCHEMBL10958746

SCHEMBL10958746

COc1cc(C2=NNC(=O)CC2CO)cc(OC)c1OC

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 10/20 0.50
PDE4A P27815 9/20 0.50
PDE4C Q08493 9/20 0.50
PDE4D Q08499 9/20 0.50
PDE3B Q13370 4/20 0.50
PDE3A Q14432 4/20 0.50
GPR119 Q8TDV5 7/20 0.46
MAPT P10636 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
BRD4 O60885 1/20 0.38
SYK P43405 1/20 0.38

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
Domipizone SCHEMBL1814940 0.86 PDE4B (0.69) PDE4BPDE4APDE4CPDE4DPDE3B
SCHEMBL10963223 0.78 GPR119 (0.60) PDE4BPDE4APDE4CPDE4DPDE3B
SCHEMBL6934156 0.74 GPR119 (0.74) PDE4BPDE4APDE4CPDE4DPDE3B
SCHEMBL10956557 0.74 PDE3B (0.48) PDE4BPDE4APDE4CPDE4DPDE3B
SCHEMBL11014998 0.73 GPR119 (0.48) PDE4BPDE4APDE4CPDE4DPDE3B
SCHEMBL6934765 0.72 GPR119 (0.61) PDE4BPDE4APDE4CPDE4DPDE3B
SCHEMBL11013347 0.71 PDE3B (0.45) PDE3BPDE3AGPR119MAPTSMN1; SMN2
SCHEMBL10961794 0.71 GPR119 (0.54) PDE4BPDE4APDE4CPDE4DPDE3B
SCHEMBL10961439 0.71 PDE3B (0.46) PDE4BPDE4APDE4CPDE4DPDE3B
SCHEMBL10961856 0.71 GPR119 (0.58) PDE3BPDE3AGPR119

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
EP-0129791-A2 Tetrahydropyridazinone derivatives, process for their preparation and their use CASSELLA Aktiengesellschaft (DE) 1985-01-02 EP disclosed