SCHEMBL7792938

SCHEMBL7792938

CCC(=O)Nc1ccc(CN2N=C(c3ccc(OC)c(OC4CCCC4)c3)C(CC)SC2=O)cc1

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 14/20 0.53
PDE4D Q08499 14/20 0.53
PDE4B Q07343 13/20 0.53
PDE4C Q08493 13/20 0.53
POLB P06746 1/20 0.44
HDAC1 Q13547 1/20 0.42
HDAC2 Q92769 1/20 0.42

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
SCHEMBL7802768 0.94 PDE4A (0.51) PDE4APDE4DPDE4BPDE4CPOLB
SCHEMBL7792755 0.93 PDE4D (0.53) PDE4APDE4DPDE4BPDE4CPOLB
SCHEMBL7802865 0.93 PDE4A (0.53) PDE4APDE4DPDE4BPDE4CPOLB
SCHEMBL7798856 0.93 PDE4D (0.53) PDE4APDE4DPDE4BPDE4CPOLB
SCHEMBL7802846 0.93 PDE4A (0.50) PDE4APDE4DPDE4BPDE4CHDAC1
SCHEMBL7800737 0.92 PDE4D (0.49) PDE4APDE4DPDE4BPDE4C
SCHEMBL7801939 0.92 PDE4A (0.49) PDE4APDE4DPDE4BPDE4CHDAC1
SCHEMBL7802059 0.92 PDE4D (0.52) PDE4APDE4DPDE4BPDE4CPOLB
SCHEMBL7802062 0.92 PDE4D (0.52) PDE4APDE4DPDE4BPDE4CPOLB
SCHEMBL7792933 0.91 PDE4D (0.51) PDE4APDE4DPDE4BPDE4CPOLB

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