SCHEMBL7337662

SCHEMBL7337662

c1cc(CCC2CCC3(CC2)CCC(OCCN2CCCC2)CC3)co1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 3/20 0.44
NPC1 O15118 1/20 0.36
NR1H4 Q96RI1 1/20 0.33
OPRM1 P35372 3/20 0.32
OPRD1 P41143 3/20 0.32
OPRK1 P41145 3/20 0.32
MCHR1 Q99705 1/20 0.32
ACHE P22303 1/20 0.31
HRH3 Q9Y5N1 1/20 0.31
KCNH2 Q12809 1/20 0.31
CARM1 Q86X55 1/20 0.31
PRMT6 Q96LA8 1/20 0.31

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
Oxalic Acid SCHEMBL7347292 0.94 LTA4H (0.40) LTA4HNPC1OPRM1OPRD1OPRK1
SCHEMBL7346567 0.94 LTA4H (0.40) LTA4HACHEHRH3KCNH2
SCHEMBL7348815 0.92 LTA4H (0.35) LTA4HNPC1OPRM1OPRD1OPRK1
SCHEMBL7340174 0.92 LTA4H (0.35) LTA4HNPC1NR1H4OPRM1OPRD1
SCHEMBL7342835 0.84 LTA4H (0.42) LTA4HNPC1OPRM1OPRD1OPRK1
SCHEMBL7341504 0.84 LTA4H (0.42) LTA4HNPC1OPRM1OPRD1OPRK1
SCHEMBL7339312 0.84 NR1H4 (0.34) NR1H4
SCHEMBL7338815 0.83 HTT (0.43)
SCHEMBL7347297 0.82 LTA4H (0.37) LTA4HNPC1NR1H4OPRM1OPRD1
SCHEMBL7341051 0.81 NR1H4 (0.34) 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 7 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-0699680-B1 Oxazoloquinolinone derivatives, their preparation and their use in therapy SANOFI SYNTHELABO (FR) 2000-03-08 EP disclosed
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
EP-0699680-A1 Oxazoloquinolinone derivatives, their preparation and their use in therapy SYNTHELABO (FR) 1996-03-06 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