SCHEMBL7345767

SCHEMBL7345767

OCC1CCC2(CCC(=NNc3ncc[nH]3)CC2)CC1

nearest known ligand 0.31

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.31
MAPT P10636 3/20 0.31
TDP1 Q9NUW8 3/20 0.31
ALDH1A1 P00352 2/20 0.31
L3MBTL1 Q9Y468 2/20 0.31
KDM4E B2RXH2 1/20 0.31
ITGB3 P05106 1/20 0.31
ITGB1 P05556 1/20 0.31
ITGAV P06756 1/20 0.31
ITGA2B P08514 1/20 0.31
ITGA5 P08648 1/20 0.31
RAB9A P51151 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL7339639 0.87 GAA (0.33) GAAMAPTTDP1ALDH1A1L3MBTL1
SCHEMBL7338313 0.81 GAA (0.36) GAAMAPTALDH1A1L3MBTL1
SCHEMBL7338321 0.81 GAA (0.36) GAAMAPTALDH1A1L3MBTL1
SCHEMBL7343016 0.74 APOBEC3A (0.40) SMN1; SMN2
SCHEMBL7339679 0.67 GAA (0.39) GAAMAPTALDH1A1L3MBTL1
SCHEMBL7339687 0.67 GAA (0.39) GAAMAPTALDH1A1L3MBTL1
SCHEMBL7339938 0.66
SCHEMBL3025238 0.61 APLNR (0.38)
SCHEMBL7342962 0.61 TYMP (0.32)
SCHEMBL7341518 0.60 APLNR (0.33)

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0578080-B1 3,9-disubstituted-spiro (5.5)undecanes active on the cardiovascular system, process for their preparation and pharmaceutical composition containing same SIGMA TAU IND FARMACEUTI (IT) 1997-04-23 EP claimed
EP-0578080-A2 3,9-disubstituted-spiro (5.5)undecanes active on the cardiovascular system, process for their preparation and pharmaceutical composition containing same Sigma-Tau Industrie Farmaceutiche Riunite S.p.A. (IT) 1994-01-12 EP claimed
EP-0578080-B1 3,9-disubstituted-spiro (5.5)undecanes active on the cardiovascular system, process for their preparation and pharmaceutical composition containing same SIGMA TAU IND FARMACEUTI (IT) 1997-04-23 EP disclosed
US-5444082-A Treats hypertension and heart failure SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 1995-08-22 US disclosed
EP-0578080-A2 3,9-disubstituted-spiro (5.5)undecanes active on the cardiovascular system, process for their preparation and pharmaceutical composition containing same Sigma-Tau Industrie Farmaceutiche Riunite S.p.A. (IT) 1994-01-12 EP disclosed