SCHEMBL6973211

SCHEMBL6973211

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

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 18/20 0.44
PDE4B Q07343 12/20 0.44
PDE4A P27815 11/20 0.44
PDE4C Q08493 11/20 0.44
HCRTR1 O43613 1/20 0.40
HCRTR2 O43614 1/20 0.40

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
SCHEMBL7345029 0.96 PDE4D (0.44) PDE4DPDE4BPDE4APDE4C
SCHEMBL6655845 0.92 PDE4D (0.52) PDE4DPDE4BPDE4APDE4C
SCHEMBL6966879 0.89 PDE4D (0.46) PDE4DPDE4BPDE4APDE4C
SCHEMBL6973947 0.88 PDE4D (0.48) PDE4DPDE4BPDE4APDE4C
SCHEMBL7792987 0.88 PDE4D (0.42) PDE4DPDE4BPDE4APDE4C
SCHEMBL7792953 0.88 PDE4D (0.45) PDE4DPDE4BPDE4APDE4C
SCHEMBL6974053 0.88 PDE4D (0.44) PDE4DPDE4BPDE4APDE4C
SCHEMBL7798760 0.87 PDE4D (0.44) PDE4DPDE4BPDE4APDE4C
SCHEMBL7801776 0.87 PDE4D (0.44) PDE4DPDE4BPDE4APDE4C
SCHEMBL7798769 0.87 PDE4D (0.41) PDE4DPDE4BPDE4APDE4C

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