SCHEMBL6964280

SCHEMBL6964280

COc1ccc(C2=NN(Cc3ccc(N)cc3)C(=O)OC2)cc1OC

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 16/20 0.54
PDE4D Q08499 7/20 0.54
PDE4A P27815 4/20 0.54
PDE4C Q08493 4/20 0.54
PDE3B Q13370 1/20 0.54
PDE3A Q14432 1/20 0.54
CYP19A1 P11511 1/20 0.44

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
SCHEMBL6969501 0.89 PDE4B (0.50) PDE4BPDE4DPDE4APDE4CPDE3B
SCHEMBL7082293 0.89 PDE4B (0.54) PDE4BPDE4DPDE4APDE4CPDE3B
SCHEMBL6971014 0.83 PDE4B (0.50) PDE4BPDE4DPDE4APDE4CPDE3B
SCHEMBL6658032 0.82 PDE4B (0.79) PDE4BPDE4DPDE4APDE4CPDE3B
SCHEMBL6967895 0.81 PDE4B (0.55) PDE4BPDE4DPDE4APDE4CPDE3B
SCHEMBL260479 0.80 MAPT (0.38)
SCHEMBL6844123 0.79 PDE4B (0.47) PDE4BPDE4DPDE4APDE4CPDE3B
SCHEMBL6684268 0.79 LMNA (0.53) PDE4BPDE4DPDE4APDE4CPDE3B
SCHEMBL6661559 0.79 TSHR (0.56) PDE4BPDE4DPDE4APDE4CPDE3B
SCHEMBL6659876 0.79 SMN1; SMN2 (0.54) PDE4BPDE4DPDE4APDE4CPDE3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0763534-B1 Arylalkyl-diazinone derivatives as phosphodiesterase IV inhibitors MERCK PATENT GMBH (DE) 2003-02-26 EP disclosed
US-5859008-A Arylalkyl diazinones MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1999-01-12 US disclosed
EP-0763534-A1 Arylalkyl-diazinone derivatives as phosphodiesterase IV inhibitors MERCK PATENT GmbH (DE) 1997-03-19 EP disclosed