SCHEMBL6973947

SCHEMBL6973947

CCOc1ccc(C2=NN(Cc3ccc(N)cc3)C(=O)SC2CC)cc1OC

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 19/20 0.48
PDE4A P27815 12/20 0.48
PDE4B Q07343 12/20 0.48
PDE4C Q08493 12/20 0.48
KDM4E B2RXH2 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 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
SCHEMBL6971749 0.96 PDE4D (0.48) PDE4DPDE4APDE4BPDE4C
SCHEMBL6655845 0.94 PDE4D (0.52) PDE4DPDE4APDE4BPDE4C
SCHEMBL6966879 0.94 PDE4D (0.46) PDE4DPDE4APDE4BPDE4C
SCHEMBL6956679 0.91 PDE4D (0.45) PDE4DPDE4APDE4BPDE4C
SCHEMBL6973211 0.88 PDE4D (0.44) PDE4DPDE4APDE4BPDE4C
SCHEMBL6974053 0.88 PDE4D (0.44) PDE4DPDE4APDE4BPDE4C
SCHEMBL6972516 0.88 PDE4D (0.46) PDE4DPDE4APDE4BPDE4C
SCHEMBL7792856 0.87 PDE4D (0.45) PDE4DPDE4APDE4BPDE4CMAPT
SCHEMBL7345029 0.86 PDE4D (0.44) PDE4DPDE4APDE4BPDE4C
SCHEMBL6971016 0.86 PDE4D (0.44) 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