SCHEMBL8913326

SCHEMBL8913326

O=C1CCC(c2ccc3c(c2)CC(NC(=O)c2cccnc2)C3)=NN1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 4/20 0.47
WNT1 P04628 1/20 0.43
DYRK1A Q13627 1/20 0.43
ALDH1A1 P00352 4/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
MAPT P10636 1/20 0.42
GRM5 P41594 1/20 0.41
ADRB3 P13945 1/20 0.40
KCNH2 Q12809 1/20 0.40
TSHR P16473 1/20 0.40
HTT P42858 1/20 0.39
CYP1A2 P05177 1/20 0.39
GRIA2 P42262 1/20 0.39
NR1H2 P55055 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
KDM5A P29375 1/20 0.38
PDE3A Q14432 3/20 0.38
PDE4A P27815 2/20 0.38
PDE4B Q07343 2/20 0.38
PDE4C Q08493 2/20 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
SCHEMBL8912740 0.86 PDE3B (0.46) PDE3BALDH1A1MAPTTSHRCYP1A2
SCHEMBL8912135 0.81 CRBN (0.44) PDE3BGRM5KCNH2SMN1; SMN2KDM5A
SCHEMBL8912023 0.77 CA12 (0.49) PDE3BALDH1A1L3MBTL1MAPTKCNH2
SCHEMBL10473805 0.77 PDE3B (0.68) PDE3BALDH1A1MAPTKCNH2CYP1A2
SCHEMBL8912191 0.77 NR1H2 (0.49) PDE3BKCNH2NR1H2SMN1; SMN2PDE3A
SCHEMBL8911986 0.76 MAPT (0.42) PDE3BALDH1A1L3MBTL1MAPTKCNH2
SCHEMBL8911889 0.76 CA12 (0.51) PDE3BALDH1A1L3MBTL1MAPTPDE3A
SCHEMBL8912495 0.74 LMNA (0.46) PDE3BALDH1A1L3MBTL1MAPTPDE3A
SCHEMBL8303551 0.73 LMNA (0.48) PDE3BMAPTKCNH2SMN1; SMN2PDE3A
SCHEMBL8108762 0.72 EPHX2 (0.56) PDE3BALDH1A1MAPTTSHRSMN1; SMN2

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
US-5605901-A THERAPY FOR GRAM-NEGATIVE BACTERIA, NEPHRITIS TANABE SEIYAKU CO., LTD. (JP) 1997-02-25 US claimed
US-5543409-A Indane derivatives for treating endotoxin shock and/or nephritis TANABE SEIYAKU CO., LTD. (JP) 1996-08-06 US claimed
EP-0661274-A1 Indane derivatives, processes for preparing the same and synthetic intermediate of the same TANABE SEIYAKU CO., LTD. (JP) 1995-07-05 EP claimed