SCHEMBL7346567

SCHEMBL7346567

c1cc(CCC2CCC3(CC2)CCC(OCCCN2CCCC2)CC3)co1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.40
HRH3 Q9Y5N1 18/20 0.36
ACHE P22303 1/20 0.36
SLC6A2 P23975 2/20 0.35
HRH1 P35367 2/20 0.35
CHRM2 P08172 1/20 0.35
ADRA2C P18825 1/20 0.35
SLC6A4 P31645 1/20 0.35
SLC6A3 Q01959 1/20 0.35
KCNH2 Q12809 1/20 0.35
CACNA1C Q13936 1/20 0.35
SCN5A Q14524 1/20 0.35
CHRM4 P08173 1/20 0.34
HTR2C P28335 1/20 0.34
HTR7 P34969 1/20 0.34
TMEM97 Q5BJF2 1/20 0.34
SIGMAR1 Q99720 1/20 0.34

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
SCHEMBL7337662 0.94 LTA4H (0.44) LTA4HHRH3ACHEKCNH2
Oxalic Acid SCHEMBL7347292 0.88 LTA4H (0.40) LTA4HHTR2C
SCHEMBL7348815 0.85 LTA4H (0.35) LTA4HHRH3CHRM2KCNH2SIGMAR1
SCHEMBL7340174 0.85 LTA4H (0.35) LTA4HHRH3
SCHEMBL7341051 0.84 NR1H4 (0.34)
SCHEMBL7339312 0.82 NR1H4 (0.34)
SCHEMBL7338815 0.81 HTT (0.43)
SCHEMBL7341504 0.78 LTA4H (0.42) LTA4H
SCHEMBL7340435 0.78 NR1H4 (0.33)
SCHEMBL7342835 0.78 LTA4H (0.42) LTA4H

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