SCHEMBL10370841

SCHEMBL10370841

COCCNC(=O)COc1ccc(C2=NNC(=O)CC2C)cc1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 5/20 0.54
PDE3B Q13370 9/20 0.51
PDE3A Q14432 9/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
KDM4E B2RXH2 2/20 0.51
ALDH1A1 P00352 2/20 0.51
CYP2C9 P11712 2/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2C19 P33261 1/20 0.50
MAPT P10636 2/20 0.49
HPGD P15428 2/20 0.48
GFER P55789 1/20 0.48
PDE4A P27815 2/20 0.47
PDE4B Q07343 2/20 0.47
PDE4C Q08493 2/20 0.47
PDE4D Q08499 2/20 0.47
TNNC1 P63316 1/20 0.44
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
SCHEMBL7325184 0.89 HRH3 (0.53) HRH3PDE3BPDE3ASMN1; SMN2KDM4E
SCHEMBL7328115 0.84 HRH3 (0.52) HRH3PDE3BPDE3ASMN1; SMN2KDM4E
SCHEMBL7328015 0.84 HRH3 (0.52) HRH3PDE3BPDE3ASMN1; SMN2KDM4E
SCHEMBL7326514 0.84 HRH3 (0.52) HRH3PDE3BPDE3ASMN1; SMN2KDM4E
SCHEMBL7332131 0.84 HRH3 (0.48) HRH3PDE3BPDE3ASMN1; SMN2KDM4E
SCHEMBL7327130 0.81 HRH3 (0.60) HRH3PDE3BPDE3ASMN1; SMN2KDM4E
SCHEMBL10369572 0.80 HRH3 (0.59) HRH3PDE3BPDE3ASMN1; SMN2KDM4E
SCHEMBL7335052 0.80 HRH3 (0.57) HRH3PDE3BPDE3ASMN1; SMN2KDM4E
SCHEMBL10560392 0.79 PDE3B (0.61) HRH3PDE3BPDE3ASMN1; SMN2KDM4E
SCHEMBL9484349 0.77 HRH3 (0.70) HRH3PDE3BPDE3ASMN1; 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0175363-B1 4,5-DIHYDRO-3(2H)-PYRIDAZINONES, PROCESS FOR THEIR PREPARATION AND THEIR USE CASSELLA Aktiengesellschaft (DE) 1990-01-17 EP disclosed
US-4816454-A CARDIOVASCULAR DISORDERS CASSELLA AKTIENGESELLSCHAFT (DE) 1989-03-28 US disclosed
EP-0175363-A2 4,5-Dihydro-3(2H)-pyridazinones, process for their preparation and their use CASSELLA Aktiengesellschaft (DE) 1986-03-26 EP disclosed