SCHEMBL9656799

SCHEMBL9656799

Cc1ccc(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 10/20 0.46
PDE3A Q14432 10/20 0.46
MAPT P10636 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
TSHR P16473 3/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
ALOX15 P16050 1/20 0.43
MAPK1 P28482 1/20 0.43
LMNA P02545 1/20 0.43
BLM P54132 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
TNNC1 P63316 1/20 0.42
ADRB2 P07550 1/20 0.42
ACHE P22303 1/20 0.41
PDE4A P27815 3/20 0.40
PDE4B Q07343 3/20 0.40
PDE4C Q08493 3/20 0.40

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
SCHEMBL9657585 0.93 PDE3B (0.45) PDE3BPDE3AMAPTSMN1; SMN2TSHR
SCHEMBL9655863 0.92 PDE3B (0.45) PDE3BPDE3AMAPTSMN1; SMN2TSHR
SCHEMBL9655934 0.92 PDE3B (0.45) PDE3BPDE3AMAPTSMN1; SMN2TSHR
SCHEMBL9657593 0.92 PDE3B (0.45) PDE3BPDE3AMAPTSMN1; SMN2TSHR
SCHEMBL9657696 0.92 KDM4E (0.44) PDE3BPDE3AMAPTSMN1; SMN2TSHR
SCHEMBL9657940 0.91 PDE3B (0.46) PDE3BPDE3AMAPTSMN1; SMN2TSHR
SCHEMBL10568606 0.89 MAPT (0.44) PDE3BPDE3AMAPTSMN1; SMN2TSHR
SCHEMBL9655901 0.89 L3MBTL1 (0.56) PDE3BPDE3AMAPTSMN1; SMN2TSHR
SCHEMBL9654525 0.88 PDE3B (0.48) PDE3BPDE3AMAPTSMN1; SMN2TSHR
SCHEMBL9657573 0.87 PDE3B (0.46) PDE3BPDE3AMAPTSMN1; SMN2TSHR

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 2 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