SCHEMBL7339101

SCHEMBL7339101

N=C(N)NN=CC1CCC2(CC1)CCC(OCCN1CCCC1)CC2

nearest known ligand 0.37

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.37

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
SCHEMBL7339093 1.00 NPC1 (0.37) NPC1
SCHEMBL7338258 0.85 SPHK1 (0.32)
SCHEMBL7338254 0.85 SPHK1 (0.32)
SCHEMBL7348105 0.81 NPC1 (0.38) NPC1
SCHEMBL7337041 0.74 NPC1 (0.47) NPC1
SCHEMBL7338919 0.74 NPC1 (0.33) NPC1
SCHEMBL7339433 0.74 NPC1 (0.33) NPC1
SCHEMBL7341962 0.73 GAA (0.35) NPC1
SCHEMBL7348591 0.73 GAA (0.35) NPC1
SCHEMBL7337076 0.72

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