SCHEMBL9657940

SCHEMBL9657940

CCc1ccc(C)c(OCC(O)CNC(C)(C)CNc2ccc(C3=NNC(=O)CC3C)cc2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 12/20 0.46
PDE3A Q14432 12/20 0.46
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41
LMNA P02545 1/20 0.41
BLM P54132 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
TNNC1 P63316 1/20 0.41
MAPT P10636 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
ACHE P22303 1/20 0.39
PDE4A P27815 3/20 0.38
PDE4B Q07343 3/20 0.38
PDE4C Q08493 3/20 0.38
PDE4D Q08499 3/20 0.38

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
SCHEMBL9656799 0.91 PDE3B (0.46) PDE3BPDE3AKDM4EALDH1A1CYP1A2
SCHEMBL9655863 0.90 PDE3B (0.45) PDE3BPDE3AKDM4EALDH1A1CYP1A2
SCHEMBL9657593 0.90 PDE3B (0.45) PDE3BPDE3AKDM4EALDH1A1CYP1A2
SCHEMBL10568606 0.87 MAPT (0.44) PDE3BPDE3AKDM4EALDH1A1CYP1A2
SCHEMBL9462555 0.87 ACHE (0.40) PDE3BPDE3ATSHRLMNAMAPT
SCHEMBL9657579 0.85 PDE3B (0.45) PDE3BPDE3AKDM4EALDH1A1CYP1A2
SCHEMBL9657573 0.85 PDE3B (0.46) PDE3BPDE3AKDM4EALDH1A1CYP1A2
SCHEMBL9656783 0.85 PDE3B (0.44) PDE3BPDE3AKDM4EALDH1A1CYP1A2
SCHEMBL9657585 0.84 PDE3B (0.45) PDE3BPDE3AKDM4EALDH1A1CYP1A2
SCHEMBL9654525 0.84 PDE3B (0.48) PDE3BPDE3AKDM4EALDH1A1CYP1A2

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-0259835-B1 PYRIDAZINONE DERIVATIVES TEIKOKU HORMONE MFG. CO., LTD. (JP) 1992-01-15 EP disclosed
US-4843072-A Antihypertensive pyridazinone aminoisopropanol derivatives TEIKOKU HORMONE MFG. CO., LTD. (JP) 1989-06-27 US disclosed
EP-0259835-A2 Pyridazinone derivatives TEIKOKU HORMONE MFG. CO., LTD. (JP) 1988-03-16 EP disclosed