SCHEMBL7801749

SCHEMBL7801749

CCC1SC(=O)N(Cc2ccc(NC(=O)C(C)=O)cc2)N=C1c1ccc(OCF)c(OC)c1

nearest known ligand 0.44

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 19/20 0.44
PDE4A P27815 12/20 0.44
PDE4B Q07343 12/20 0.44
PDE4C Q08493 12/20 0.44

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
SCHEMBL7800892 0.98 PDE4D (0.43) PDE4DPDE4APDE4BPDE4C
SCHEMBL7802160 0.94 PDE4D (0.46) PDE4DPDE4APDE4BPDE4C
SCHEMBL7800703 0.94 PDE4D (0.49) PDE4DPDE4APDE4BPDE4C
SCHEMBL8194051 0.94 PDE4D (0.44) PDE4DPDE4APDE4BPDE4C
SCHEMBL7801957 0.92 PDE4D (0.45) PDE4DPDE4APDE4BPDE4C
SCHEMBL7802698 0.92 PDE4D (0.45) PDE4DPDE4APDE4BPDE4C
SCHEMBL8189786 0.91 PDE4D (0.43) PDE4DPDE4APDE4BPDE4C
SCHEMBL7792927 0.91 PDE4D (0.44) PDE4DPDE4APDE4BPDE4C
SCHEMBL7800684 0.91 PDE4D (0.46) PDE4DPDE4APDE4BPDE4C
SCHEMBL7798506 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