SCHEMBL6972981

SCHEMBL6972981

CCC1SC(=O)N(Cc2ccc(N)cc2)N=C1c1ccc(OC)c(OC2CCCC2)c1

nearest known ligand 0.58

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 20/20 0.58
PDE4A P27815 19/20 0.58
PDE4B Q07343 19/20 0.58
PDE4C Q08493 19/20 0.58

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
SCHEMBL6655845 0.91 PDE4D (0.52) PDE4DPDE4APDE4BPDE4C
SCHEMBL6967983 0.91 PDE4A (0.58) PDE4DPDE4APDE4BPDE4C
SCHEMBL7802865 0.88 PDE4A (0.53) PDE4DPDE4APDE4BPDE4C
SCHEMBL7802872 0.88 PDE4D (0.55) PDE4DPDE4APDE4BPDE4C
SCHEMBL6971749 0.87 PDE4D (0.48) PDE4DPDE4APDE4BPDE4C
SCHEMBL7798856 0.87 PDE4D (0.53) PDE4DPDE4APDE4BPDE4C
SCHEMBL7800875 0.87 PDE4D (0.53) PDE4DPDE4APDE4BPDE4C
SCHEMBL7792755 0.87 PDE4D (0.53) PDE4DPDE4APDE4BPDE4C
SCHEMBL7345029 0.87 PDE4D (0.44) PDE4DPDE4APDE4BPDE4C
SCHEMBL7792938 0.86 PDE4A (0.53) PDE4DPDE4APDE4BPDE4C

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 7 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
EP-0723962-B1 Arylalkyl-thiadiazinones MERCK PATENT GMBH (DE) 2001-07-04 EP disclosed
US-6025354-A Arylalkyl-thiadiazinones MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2000-02-15 US disclosed
US-5859008-A Arylalkyl diazinones MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1999-01-12 US disclosed
US-5747489-A Arylalkyl-thiadiazinones MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1998-05-05 US disclosed
EP-0763534-A1 Arylalkyl-diazinone derivatives as phosphodiesterase IV inhibitors MERCK PATENT GmbH (DE) 1997-03-19 EP disclosed
EP-0723962-A1 Arylalkyl-thiadiazinones MERCK PATENT GmbH (DE) 1996-07-31 EP disclosed