SCHEMBL7798516

SCHEMBL7798516

CCC1SC(=O)NN=C1c1ccc(OC)c(OCF)c1

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 2/20 0.48
PDE4A P27815 16/20 0.46
PDE4B Q07343 16/20 0.46
PDE4C Q08493 16/20 0.46
PDE4D Q08499 16/20 0.46
PDE3B Q13370 4/20 0.46
PDE3A Q14432 4/20 0.46
KCNH2 Q12809 1/20 0.39

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
SCHEMBL7800758 0.97 GPR119 (0.48) GPR119PDE4APDE4BPDE4CPDE4D
SCHEMBL7798512 0.91 GPR119 (0.49) GPR119PDE4APDE4BPDE4CPDE4D
SCHEMBL7802932 0.91 PDE4B (0.55) GPR119PDE4APDE4BPDE4CPDE4D
SCHEMBL9259135 0.91 PDE4B (0.55) GPR119PDE4APDE4BPDE4CPDE4D
SCHEMBL7798649 0.89 GPR119 (0.49) GPR119PDE4APDE4BPDE4CPDE4D
SCHEMBL141940 0.88 GPR119 (0.46) GPR119PDE4APDE4BPDE4CPDE4D
SCHEMBL144197 0.87 GPR119 (0.48) GPR119PDE4APDE4BPDE4CPDE4D
SCHEMBL143008 0.86 GPR119 (0.46) GPR119PDE4APDE4BPDE4CPDE4D
SCHEMBL143229 0.86 PDE4A (0.47) GPR119PDE4APDE4BPDE4CPDE4D
SCHEMBL7800478 0.86 GPR119 (0.47) GPR119PDE4APDE4BPDE4CPDE4D

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 6 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
US-5434149-A Thiadiazinones MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1995-07-18 US disclosed
EP-0618201-A1 Thiadiazinones and their use in the treatment of cardiovascular or asthmatic conditions MERCK PATENT GmbH (DE) 1994-10-05 EP disclosed