SCHEMBL9654385

SCHEMBL9654385

CC1CC(=O)NN=C1c1ccc(NCC(C)(C)NCC(O)COc2cc(C(F)(F)F)ccc2Cl)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 13/20 0.42
PDE3A Q14432 13/20 0.42
MAPT P10636 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
ALOX15 P16050 1/20 0.38
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
LMNA P02545 1/20 0.38
BLM P54132 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
TNNC1 P63316 1/20 0.38
PDE4A P27815 3/20 0.37
PDE4B Q07343 3/20 0.37
PDE4C Q08493 3/20 0.37
PDE4D Q08499 3/20 0.37
GALR3 O60755 1/20 0.36

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
SCHEMBL9654276 0.91 PDE3B (0.45) PDE3BPDE3AMAPTSMN1; SMN2KDM4E
SCHEMBL9655934 0.90 PDE3B (0.45) PDE3BPDE3AMAPTSMN1; SMN2KDM4E
SCHEMBL10568580 0.87 KDM4E (0.43) PDE3BPDE3AMAPTSMN1; SMN2KDM4E
SCHEMBL9462681 0.87 SLC2A1 (0.38) PDE3BPDE3AMAPTCYP1A2ALOX15
SCHEMBL9462679 0.87 SLC2A1 (0.38) PDE3BPDE3AMAPTCYP1A2ALOX15
SCHEMBL9657525 0.87 MAPT (0.44) PDE3BPDE3AMAPTSMN1; SMN2KDM4E
SCHEMBL9656654 0.85 ADRB2 (0.47) PDE3BPDE3AMAPTSMN1; SMN2KDM4E
SCHEMBL9657593 0.84 PDE3B (0.45) PDE3BPDE3AMAPTSMN1; SMN2KDM4E
SCHEMBL9655814 0.84 PDE3B (0.45) PDE3BPDE3AMAPTSMN1; SMN2KDM4E
SCHEMBL9656783 0.83 PDE3B (0.44) 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 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