SCHEMBL6790609

SCHEMBL6790609

CC1SC(=O)NN=C1c1ccc2c(c1)CCCN2

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 12/20 0.56
PDE3A Q14432 12/20 0.56
PDE4A P27815 7/20 0.56
PDE4B Q07343 7/20 0.56
PDE4C Q08493 7/20 0.56
PDE4D Q08499 7/20 0.56
KCNH2 Q12809 1/20 0.45
FBP1 P09467 1/20 0.41
KDM4E B2RXH2 2/20 0.39
MAPT P10636 2/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
GAA P10253 2/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
TP53 P04637 1/20 0.37
THRB P10828 1/20 0.37
ALOX15 P16050 1/20 0.37

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
SCHEMBL9638293 0.97 PDE3B (0.53) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL9528602 0.96 PDE3B (0.55) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL9529725 0.91 PDE3B (0.56) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL9530238 0.87 PDE3B (0.55) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL9639134 0.85 GPR119 (0.48) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL9529954 0.85 PDE3B (0.58) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL9527872 0.82 PDE3B (0.67) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL10859727 0.81 PDE3B (0.53) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL11326849 0.80 PDE3B (0.70) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL7274250 0.78 PDE3B (0.61) PDE3BPDE3APDE4APDE4BPDE4C

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6699857-B1 ANEMIA BAYER AKTIENGESELLSCHAFT (DE) 2004-03-02 US disclosed
EP-1196173-A2 TETRAHYDROQUINOLINYL-6-METHYLDIHYDROTHIADIAZINONE DERIVATIVES AND USE THEREOF Bayer Aktiengesellschaft (DE) 2002-04-17 EP disclosed
WO-2001000188-A2 TETRAHYDROQUINOLINYL-6-METHYLDIHYDROTHIADIAZINONE DERIVATIVES AND THEIR USE FOR PREVENTING AND/OR TREATING ANAEMIA BAYER AKTIENGESELLSCHAFT (DE) 2001-01-04 WO disclosed
WO-1998038190-A1 ENANTIOMERIC SEPARATION OF 5-HETARYL-1-3,4-THIDIAZONES MERCK PATENT GMBH (DE) 1998-09-03 WO disclosed
EP-0721950-B1 Cardioactive 3-alkoxycarbonyl-thiadiazinones MERCK PATENT GMBH (DE) 1998-05-06 EP disclosed
US-5705497-A INOTROPIC, ANTIARRHYTHMIA AGENTS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1998-01-06 US disclosed
EP-0721950-A2 Cardioactive 3-alkoxycarbonyl-thiadiazinones MERCK PATENT GmbH (DE) 1996-07-17 EP disclosed
EP-0294647-B1 THIADIAZINONES MERCK PATENT GmbH (DE) 1993-07-21 EP disclosed
US-5137885-A THIADIAZINONES MERCK PATENT GESELLSCHAFT MIT BESCHRAENKTER HAFTUNG (DE) 1992-08-11 US disclosed
EP-0492257-A1 Thiadiazinone derivatives MERCK PATENT GmbH (DE) 1992-07-01 EP disclosed
US-4916128-A Thiadiazinones MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1990-04-10 US disclosed
EP-0294647-A2 Thiadiazinones MERCK PATENT GmbH (DE) 1988-12-14 EP disclosed