SCHEMBL7802932

SCHEMBL7802932

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

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 16/20 0.55
PDE4A P27815 15/20 0.55
PDE4C Q08493 15/20 0.55
PDE4D Q08499 15/20 0.55
PDE3B Q13370 4/20 0.55
PDE3A Q14432 4/20 0.55
GPR119 Q8TDV5 2/20 0.53
KCNH2 Q12809 1/20 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
SCHEMBL9259135 1.00 PDE4B (0.55) PDE4BPDE4APDE4CPDE4DPDE3B
SCHEMBL7798512 0.93 GPR119 (0.49) PDE4BPDE4APDE4CPDE4DPDE3B
SCHEMBL7798649 0.93 GPR119 (0.49) PDE4BPDE4APDE4CPDE4DPDE3B
SCHEMBL7800758 0.92 GPR119 (0.48) PDE4BPDE4APDE4CPDE4DPDE3B
SCHEMBL7798516 0.91 GPR119 (0.48) PDE4BPDE4APDE4CPDE4DPDE3B
SCHEMBL144197 0.91 GPR119 (0.48) PDE4BPDE4APDE4CPDE4DPDE3B
SCHEMBL142545 0.90 PDE4A (0.47) PDE4BPDE4APDE4CPDE4DPDE3B
SCHEMBL143229 0.90 PDE4A (0.47) PDE4BPDE4APDE4CPDE4DPDE3B
SCHEMBL7800478 0.90 GPR119 (0.47) PDE4BPDE4APDE4CPDE4DPDE3B
SCHEMBL9591714 0.90 GPR119 (0.47) PDE4BPDE4APDE4CPDE4DPDE3B

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 7 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-5883090-A Endothelin receptor antagonists MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1999-03-16 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