SCHEMBL7544154

SCHEMBL7544154

CC(C)CCCC(C)CCCc1cccnc1

nearest known ligand 0.68

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
CYP2A6 P11509 1/20 0.53
HRH1 P35367 2/20 0.50
CHRNA7 P36544 2/20 0.47
TBXAS1 P24557 7/20 0.46
HRH4 Q9H3N8 1/20 0.45
HRH3 Q9Y5N1 1/20 0.45

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
SCHEMBL12197971 0.93 TDP1 (0.62) TDP1L3MBTL1CYP2A6HRH1CHRNA7
Bromide SCHEMBL18838899 0.92 TDP1 (0.61) TDP1L3MBTL1CYP2A6HRH1CHRNA7
SCHEMBL7760926 0.87 TDP1 (0.64) TDP1L3MBTL1CYP2A6HRH1CHRNA7
SCHEMBL19670475 0.85 TDP1 (0.62) TDP1L3MBTL1CYP2A6HRH1CHRNA7
SCHEMBL9186292 0.85 TDP1 (0.62) TDP1L3MBTL1CYP2A6HRH1CHRNA7
SCHEMBL104468 0.83 CHRNA7 (0.57) TDP1L3MBTL1CYP2A6HRH1CHRNA7
SCHEMBL18856109 0.83 TDP1 (0.63) TDP1L3MBTL1CYP2A6HRH1CHRNA7
SCHEMBL7760922 0.81 TDP1 (0.56) TDP1L3MBTL1CYP2A6HRH1CHRNA7
Bicarbonate SCHEMBL9520631 0.80 TBXAS1 (0.64) TDP1L3MBTL1CYP2A6HRH1TBXAS1
SCHEMBL8975220 0.80 CYP2A6 (0.61) TDP1L3MBTL1CYP2A6HRH1CHRNA7

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-1204320-A2 NOVEL JUVENILE HORMONE ANALOGUES AND THEIR USE AS ANTIFOULING AGENTS Bioparken AS (NO) 2002-05-15 EP disclosed
EP-1204413-A2 CONTROL OF CRUSTACEAN INFESTATION OF AQUATIC ANIMALS Bioparken AS (NO) 2002-05-15 EP disclosed
WO-2001006853-A2 NOVEL JUVENILE HORMONE ANALOGUES AND THEIR USE AS ANTIFOULING AGENTS BIOPARKEN AS (NO) 2001-02-01 WO disclosed
WO-2001007047-A2 CONTROL OF CRUSTACEAN INFESTATION OF AQUATIC ANIMALS BIOPARKEN AS (NO) 2001-02-01 WO disclosed