SCHEMBL16359559

SCHEMBL16359559

Nc1ccc(OCCCCN2CCCC2)cc1

nearest known ligand 0.73

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.73
PTGS1 P23219 1/20 0.73
PTGS2 P35354 1/20 0.73
HRH3 Q9Y5N1 16/20 0.71
ATM Q13315 1/20 0.69
L3MBTL1 Q9Y468 1/20 0.69
MEN1 O00255 1/20 0.69
LMNA P02545 1/20 0.69
HTT P42858 1/20 0.69
KMT2A Q03164 1/20 0.69
KCNH2 Q12809 2/20 0.64
HRH4 Q9H3N8 1/20 0.63

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
SCHEMBL4993214 0.98 HRH3 (0.73) LTA4HPTGS1PTGS2HRH3ATM
SCHEMBL491609 0.98 MEN1 (0.71) LTA4HPTGS1PTGS2HRH3ATM
SCHEMBL4457910 0.95 LTA4H (0.76) LTA4HPTGS1PTGS2HRH3MEN1
SCHEMBL4465869 0.93 HRH3 (0.75) LTA4HPTGS1PTGS2HRH3ATM
SCHEMBL2968936 0.93 HRH3 (0.75) LTA4HPTGS1PTGS2HRH3ATM
Hydrochloric Acid SCHEMBL736843 0.92 HRH3 (0.73) LTA4HPTGS1PTGS2HRH3ATM
Oxalic Acid SCHEMBL5856171 0.90 HRH3 (0.74) HRH3L3MBTL1MEN1HTTKMT2A
SCHEMBL56495 0.89 LTA4H (0.90) LTA4HPTGS1PTGS2HRH3KCNH2
SCHEMBL23724061 0.88 LTA4H (0.87) LTA4HPTGS1PTGS2HRH3KCNH2
Hydrochloric Acid SCHEMBL15254264 0.88 LTA4H (0.87) LTA4HPTGS1PTGS2HRH3KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2005089764-A9 CARBOLINE DERIVATIVES USEFUL IN THE INHIBITION OF ANGIOGENESIS PTC THERAPEUTICS INC (US) 2007-09-13 WO disclosed