SCHEMBL6052809

SCHEMBL6052809

CC[C@@H]1CC(=O)NN=C1c1ccc(NC(C)=O)cc1

nearest known ligand 0.71

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 8/20 0.71
PDE3A Q14432 8/20 0.71
PDE2A O00408 1/20 0.57
GPR119 Q8TDV5 9/20 0.48
MAPT P10636 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
ALOX15 P16050 1/20 0.47
TSHR P16473 1/20 0.47
MAPK1 P28482 1/20 0.47
LMNA P02545 1/20 0.47
BLM P54132 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47

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
SCHEMBL6052812 1.00 PDE3B (0.71) PDE3BPDE3APDE2AGPR119MAPT
SCHEMBL11046458 0.90 PDE3B (0.71) PDE3BPDE3APDE2AMAPTSMN1; SMN2
SCHEMBL10735939 0.85 PDE3B (0.52) PDE3BPDE3APDE2AGPR119MAPT
SCHEMBL3723998 0.83 PDE3B (1.00) PDE3BPDE3AMAPTSMN1; SMN2KDM4E
SCHEMBL3723997 0.83 PDE3B (1.00) PDE3BPDE3AMAPTSMN1; SMN2KDM4E
SCHEMBL10762953 0.82 SMN1; SMN2 (0.57) PDE3BPDE3APDE2AGPR119MAPT
SCHEMBL10619119 0.82 PDE3B (0.51) PDE3BPDE3APDE2AGPR119MAPT
SCHEMBL9686762 0.81 GPR119 (0.66) PDE3BPDE3APDE2AGPR119
Methylamine SCHEMBL10474969 0.81 PDE3B (0.95) PDE3BPDE3AMAPTSMN1; SMN2KDM4E
Dimethylamine SCHEMBL10475180 0.81 PDE3B (0.95) PDE3BPDE3AMAPTSMN1; SMN2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7045147-B1 Controlled release peroral compositions of levosimendan ORION CORPORATION (FI) 2006-05-16 US disclosed
EP-1071397-B1 CONTROLLED RELEASE PERORAL COMPOSITIONS OF LEVOSIMENDAN ORION CORP (FI) 2004-01-28 EP disclosed
EP-1071397-A2 CONTROLLED RELEASE PERORAL COMPOSITIONS OF LEVOSIMENDAN ORION CORPORATION (FI) 2001-01-31 EP disclosed
WO-1999055305-A2 CONTROLLED RELEASE PERORAL COMPOSITIONS OF LEVOSIMENDAN ORION CORPORATION (FI) 1999-11-04 WO disclosed
WO-1999056134-A1 A METHOD FOR MONITORING THE TOLERABILITY OF LEVOSIMENDAN ADMINISTRATION ORION CORPORATION (FI) 1999-11-04 WO disclosed