SCHEMBL7341966

SCHEMBL7341966

CC1CC(=NNc2ncc[nH]2)CCC12CCC(OCCN1CCCC1)CC2

nearest known ligand 0.31

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.31
HRH3 Q9Y5N1 1/20 0.31
NPC1 O15118 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
SCHEMBL7339439 0.82 NPC1 (0.30) NPC1
SCHEMBL7348591 0.75 GAA (0.35) KCNH2HRH3NPC1
SCHEMBL7341962 0.75 GAA (0.35) KCNH2HRH3NPC1
SCHEMBL7339639 0.62 GAA (0.33)
SCHEMBL7345767 0.61 GAA (0.31)
SCHEMBL7348105 0.60 NPC1 (0.38) NPC1
SCHEMBL7345834 0.60 NPC1 (0.47) HRH3NPC1
SCHEMBL7338919 0.59 NPC1 (0.33) HRH3NPC1
SCHEMBL7339433 0.59 NPC1 (0.33) HRH3NPC1
SCHEMBL2303753 0.58 CHRNB2 (0.41) HRH3

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 4 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