SCHEMBL7800758

SCHEMBL7800758

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

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 4/20 0.48
PDE4A P27815 13/20 0.47
PDE4B Q07343 13/20 0.47
PDE4C Q08493 13/20 0.47
PDE4D Q08499 13/20 0.47
PDE3B Q13370 5/20 0.47
PDE3A Q14432 5/20 0.47
KCNH2 Q12809 1/20 0.40

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
SCHEMBL7798516 0.97 GPR119 (0.48) GPR119PDE4APDE4BPDE4CPDE4D
SCHEMBL7798649 0.92 GPR119 (0.49) GPR119PDE4APDE4BPDE4CPDE4D
SCHEMBL9259135 0.92 PDE4B (0.55) GPR119PDE4APDE4BPDE4CPDE4D
SCHEMBL7802932 0.92 PDE4B (0.55) GPR119PDE4APDE4BPDE4CPDE4D
SCHEMBL144197 0.90 GPR119 (0.48) GPR119PDE4APDE4BPDE4CPDE4D
SCHEMBL143008 0.89 GPR119 (0.46) GPR119PDE4APDE4BPDE4CPDE4D
SCHEMBL7798512 0.87 GPR119 (0.49) GPR119PDE4APDE4BPDE4CPDE4D
SCHEMBL142545 0.87 PDE4A (0.47) GPR119PDE4APDE4BPDE4CPDE4D
SCHEMBL143231 0.87 GPR119 (0.47) GPR119PDE4APDE4BPDE4CPDE4D
SCHEMBL146902 0.86 GPR119 (0.45) 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