SCHEMBL7341127

SCHEMBL7341127

[O-][n+]1cccc(CCC2CCC3(CC2)CCC(OCCN2CCCC2)CC3)c1

nearest known ligand 0.39

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 10/20 0.39
CARM1 Q86X55 1/20 0.33
PRMT6 Q96LA8 1/20 0.33
NPC1 O15118 1/20 0.33

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
SCHEMBL7337816 0.80 LTA4H (0.46)
SCHEMBL7337662 0.77 LTA4H (0.44) CARM1PRMT6NPC1
SCHEMBL7340086 0.77 LTA4H (0.44) CARM1PRMT6NPC1
SCHEMBL7340456 0.76 GPR84 (0.40) GPR84
SCHEMBL7345298 0.73 NPC1 (0.35) NPC1
Oxalic Acid SCHEMBL7347292 0.73 LTA4H (0.40) NPC1
SCHEMBL7342773 0.71 NPC1 (0.35) NPC1
SCHEMBL7346567 0.71 LTA4H (0.40)
SCHEMBL7348815 0.69 LTA4H (0.35) NPC1
SCHEMBL7340174 0.69 LTA4H (0.35) CARM1PRMT6NPC1

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