SCHEMBL6969501

SCHEMBL6969501

COc1ccc(C2=NN(CCc3ccc(N)cc3)C(=O)OC2)cc1OC

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 18/20 0.50
CYP19A1 P11511 1/20 0.48
PDE4D Q08499 3/20 0.45
PDE4A P27815 2/20 0.45
PDE4C Q08493 2/20 0.45
PDE3B Q13370 1/20 0.45
PDE3A Q14432 1/20 0.45

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
SCHEMBL6964280 0.89 PDE4B (0.54) PDE4BCYP19A1PDE4DPDE4APDE4C
SCHEMBL6656328 0.83 PDE4B (0.68) PDE4BCYP19A1PDE4DPDE4APDE4C
SCHEMBL6961901 0.82 PDE4B (0.48) PDE4BCYP19A1PDE4DPDE4APDE4C
SCHEMBL7082293 0.80 PDE4B (0.54) PDE4BPDE4DPDE4APDE4CPDE3B
SCHEMBL6685828 0.80 LMNA (0.51) PDE4B
SCHEMBL6662258 0.80 FLT1 (0.45) PDE4BPDE4DPDE4APDE4CPDE3B
SCHEMBL6662743 0.80 TSHR (0.52) PDE4B
SCHEMBL6842307 0.80 FLT1 (0.44) PDE4B
SCHEMBL6843934 0.79 FLT1 (0.42) PDE4BPDE4DPDE4APDE4CPDE3B
SCHEMBL6844104 0.79 FLT1 (0.43) 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