SCHEMBL7802736

SCHEMBL7802736

CCCC(=O)Nc1ccc(CN2N=C(c3ccc(OC)c(OC(F)F)c3)C(CC)SC2=O)cc1

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 17/20 0.42
PDE4A P27815 15/20 0.42
PDE4B Q07343 14/20 0.42
PDE4C Q08493 14/20 0.42
PDE3B Q13370 4/20 0.39
PDE3A Q14432 4/20 0.39
P2RX3 P56373 1/20 0.37
MTNR1B P49286 1/20 0.36

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
SCHEMBL7798623 0.97 PDE4D (0.42) PDE4DPDE4APDE4BPDE4CPDE3B
SCHEMBL7798771 0.95 PDE4D (0.41) PDE4DPDE4APDE4BPDE4CPDE3B
SCHEMBL7798799 0.95 PDE4D (0.42) PDE4DPDE4APDE4BPDE4CPDE3B
SCHEMBL7798791 0.94 PDE4D (0.43) PDE4DPDE4APDE4BPDE4CPDE3B
SCHEMBL7798660 0.93 PDE4D (0.48) PDE4DPDE4APDE4BPDE4CPDE3B
SCHEMBL7798528 0.92 PDE4D (0.41) PDE4DPDE4APDE4BPDE4CPDE3B
SCHEMBL7792958 0.92 PDE4D (0.42) PDE4DPDE4APDE4BPDE4CPDE3B
SCHEMBL7798881 0.91 PDE4D (0.44) PDE4DPDE4APDE4BPDE4C
SCHEMBL7798692 0.91 PDE4D (0.44) PDE4DPDE4APDE4BPDE4CPDE3B
SCHEMBL7802792 0.91 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-5747489-A Arylalkyl-thiadiazinones MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1998-05-05 US disclosed
EP-0723962-A1 Arylalkyl-thiadiazinones MERCK PATENT GmbH (DE) 1996-07-31 EP disclosed