SCHEMBL7345511

SCHEMBL7345511

NCC(O)COC1CCC2(CCC(CCc3ccoc3)CC2)CC1

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 2/20 0.33
ALDH1A1 P00352 1/20 0.30
MAPT P10636 1/20 0.30
LMNA P02545 1/20 0.30
GAA P10253 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
SCHEMBL7344129 0.90 NR1H4 (0.33) NR1H4ALDH1A1MAPT
SCHEMBL7340278 0.88 NR1H4 (0.34) NR1H4ALDH1A1MAPT
SCHEMBL7339136 0.85 NR1H4 (0.33) NR1H4
SCHEMBL7338815 0.85 HTT (0.43) ALDH1A1MAPTLMNAGAA
SCHEMBL7339312 0.84 NR1H4 (0.34) NR1H4
SCHEMBL7341051 0.81 NR1H4 (0.34) NR1H4
SCHEMBL7340435 0.78 NR1H4 (0.33) NR1H4
SCHEMBL7341281 0.77 NR1H4 (0.33) NR1H4
SCHEMBL7341294 0.76 NR1H4 (0.42) NR1H4ALDH1A1MAPT
SCHEMBL7340174 0.74 LTA4H (0.35) NR1H4

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