SCHEMBL7382689

SCHEMBL7382689

C[C@]12CCC(OCCN3CCCC3)CC1CC[C@@H]1[C@H]2CC[C@]2(C)C(OCCN3CCCC3)(c3ccoc3)CC[C@@]12O

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ATP1A1 P05023 15/20 0.51
ATP1B1 P05026 15/20 0.51
ATP1A3 P13637 15/20 0.51
ATP1B2 P14415 15/20 0.51
ATP1A2 P50993 15/20 0.51
ATP1B3 P54709 15/20 0.51
FXYD2 P54710 15/20 0.51
ATP1A4 Q13733 15/20 0.51
HRH3 Q9Y5N1 2/20 0.36
HSD17B3 P37058 1/20 0.32
NPC1L1 Q9UHC9 1/20 0.31
TP53 P04637 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL8901992 1.00 ATP1A1 (0.51) ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2
SCHEMBL8652592 1.00 ATP1A1 (0.51) ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2
SCHEMBL7382684 1.00 ATP1A1 (0.51) ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2
SCHEMBL8652594 1.00 ATP1A1 (0.51) ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2
SCHEMBL8901987 1.00 ATP1A1 (0.51) ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2
SCHEMBL7382687 1.00 ATP1A1 (0.51) ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2
SCHEMBL475105 0.94 ATP1A1 (0.51) ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2
SCHEMBL475107 0.94 ATP1A1 (0.51) ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2
SCHEMBL8608571 0.91 ATP1A1 (0.64) ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2
SCHEMBL7387486 0.91 ATP1A1 (0.64) ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2160190-B1 5BETA, 14BETA-ANDROSTANE DERIVATIVES USEFUL FOR THE TREATMENT OF DISEASES DUE TO ORGAN FIBROSIS SIGMA TAU IND FARMACEUTI (IT) 2015-11-04 EP claimed
EP-0583578-B1 17B-(3-Furyl) and 17B-(4-pyridazinyl)-5beta,14beta-androstane derivatives active on the cardiovascular system, processes for their preparation and pharmaceutical compositions containing same SIGMA TAU IND FARMACEUTI (IT) 1997-04-23 EP claimed
US-5591734-A 17-(3-furyl)-5β, 14β-androstane derivatives active on the cardiovascular system, processes for their preparation and pharmaceutical compositions containing same SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 1997-01-07 US claimed
EP-0590271-B1 17-Aryl and 17-heterocyclyl-14beta-5alpha-androstane, androstene and androstadiene derivatives active on the cardiovascular system, processes for their preparation and pharmaceutical compositions containing same SIGMA TAU IND FARMACEUTI (IT) 1996-11-27 EP claimed
EP-0590271-A2 17-Aryl and 17-heterocyclyl-14beta-5alpha-androstane, androstene and androstadiene derivatives active on the cardiovascular system, processes for their preparation and pharmaceutical compositions containing same Sigma-Tau Industrie Farmaceutiche Riunite S.p.A. (IT) 1994-04-06 EP claimed
EP-0583578-A2 17-(3-Furyl) and 17-(4-pyridazinyl)-5beta,14beta-androstane derivatives active on the cardiovascular system, processes for their preparation and pharmaceutical compositions containing same Sigma-Tau Industrie Farmaceutiche Riunite S.p.A. (IT) 1994-02-23 EP claimed
US-5721227-A 17-aryl and 17-heterocyclyl-14β-5α-androstane, androstene and androstadiene derivatives active on the cardiovascular system, processes for their preparation and pharmaceutical compositions containing same SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 1998-02-24 US disclosed
EP-0583578-B1 17B-(3-Furyl) and 17B-(4-pyridazinyl)-5beta,14beta-androstane derivatives active on the cardiovascular system, processes for their preparation and pharmaceutical compositions containing same SIGMA TAU IND FARMACEUTI (IT) 1997-04-23 EP disclosed
US-5591734-A 17-(3-furyl)-5β, 14β-androstane derivatives active on the cardiovascular system, processes for their preparation and pharmaceutical compositions containing same SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 1997-01-07 US disclosed
US-5567697-A 14, 15-EPOXYANDROSTANE HYPOTENSIVE AGENT FOR LOWER BLOOD PRESSURE SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 1996-10-22 US disclosed
US-5556846-A 17-heterocyclyl-14beta-5alpha-androstane, androstene and androstadiene derivatives active on the cardiovascular system, and pharmaceutical compositions containing same SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 1996-09-17 US disclosed
EP-0583578-A2 17-(3-Furyl) and 17-(4-pyridazinyl)-5beta,14beta-androstane derivatives active on the cardiovascular system, processes for their preparation and pharmaceutical compositions containing same Sigma-Tau Industrie Farmaceutiche Riunite S.p.A. (IT) 1994-02-23 EP disclosed