SCHEMBL7792927

SCHEMBL7792927

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

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 18/20 0.44
PDE4A P27815 13/20 0.44
PDE4B Q07343 13/20 0.44
PDE4C Q08493 13/20 0.44
PDE3B Q13370 2/20 0.39
PDE3A Q14432 2/20 0.39
KDR P35968 1/20 0.39
HTT P42858 1/20 0.38

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
SCHEMBL8190494 0.98 PDE4D (0.44) PDE4DPDE4APDE4BPDE4CPDE3B
SCHEMBL7800737 0.94 PDE4D (0.49) PDE4DPDE4APDE4BPDE4CPDE3B
SCHEMBL7801582 0.94 PDE4D (0.43) PDE4DPDE4APDE4BPDE4CPDE3B
SCHEMBL7802160 0.93 PDE4D (0.46) PDE4DPDE4APDE4BPDE4C
SCHEMBL7801957 0.93 PDE4D (0.45) PDE4DPDE4APDE4BPDE4CPDE3B
SCHEMBL7802871 0.92 PDE4D (0.42) PDE4DPDE4APDE4BPDE4CPDE3B
SCHEMBL7800684 0.92 PDE4D (0.46) PDE4DPDE4APDE4BPDE4C
SCHEMBL7792888 0.91 PDE4D (0.43) PDE4DPDE4APDE4BPDE4CPDE3B
SCHEMBL7792979 0.91 PDE4D (0.43) PDE4DPDE4APDE4BPDE4CPDE3B
SCHEMBL8194051 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