SCHEMBL4966528

SCHEMBL4966528

O=C(O)C1CCCN(CCc2ccc(Oc3nc4ccccc4s3)cc2)C1I

nearest known ligand 0.60

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 19/20 0.60
KCNH2 Q12809 11/20 0.59
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C19 P33261 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47

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
SCHEMBL2171139 0.84 LTA4H (0.65) LTA4HKCNH2CYP1A2CYP3A4CYP2D6
SCHEMBL4692870 0.81 LTA4H (0.62) LTA4HKCNH2CYP1A2CYP3A4CYP2D6
SCHEMBL2168436 0.80 LTA4H (0.69) LTA4HKCNH2
SCHEMBL2168422 0.80 LTA4H (0.69) LTA4HKCNH2
SCHEMBL22209141 0.79 LTA4H (0.69) LTA4HKCNH2CYP1A2CYP3A4CYP2D6
SCHEMBL2169583 0.79 LTA4H (0.84) LTA4HKCNH2
SCHEMBL2170245 0.78 LTA4H (0.67) LTA4HKCNH2
SCHEMBL2181683 0.77 LTA4H (0.55) LTA4HKCNH2CYP1A2CYP3A4CYP2D6
SCHEMBL2168298 0.77 LTA4H (0.55) LTA4HKCNH2CYP1A2CYP3A4CYP2D6
SCHEMBL2168778 0.77 LTA4H (0.55) LTA4HKCNH2CYP1A2CYP3A4CYP2D6

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-2008100564-A1 LTA4H MODULATORS AND USES THEROF JANSSEN PHARMACEUTICA N.V. (BE) 2008-08-21 WO disclosed