SCHEMBL13844657

SCHEMBL13844657

CC(C)(O)C(=O)N[C@H]1CC2C[C@@H](C1)N2Cc1ccc(Oc2nc3ccccc3s2)cc1

nearest known ligand 0.61

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 20/20 0.61
KCNH2 Q12809 11/20 0.60

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
SCHEMBL1907989 0.96 LTA4H (0.67) LTA4HKCNH2
SCHEMBL12240842 0.96 LTA4H (0.67) LTA4HKCNH2
SCHEMBL12222608 0.96 LTA4H (0.67) LTA4HKCNH2
SCHEMBL2531312 0.96 LTA4H (0.67) LTA4HKCNH2
SCHEMBL12245703 0.87 LTA4H (0.65) LTA4HKCNH2
SCHEMBL12278238 0.86 LTA4H (0.63) LTA4HKCNH2
SCHEMBL12244450 0.86 LTA4H (0.63) LTA4HKCNH2
SCHEMBL12222605 0.85 LTA4H (0.76) LTA4HKCNH2
SCHEMBL1904010 0.85 LTA4H (0.76) LTA4HKCNH2
SCHEMBL12240841 0.85 LTA4H (0.76) LTA4HKCNH2

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-2009058347-A1 ARYL-SUBSTITUTED BRIDGED OR FUSED DIAMINES AS MODULATORS OF LEUKOTRIENE A4 HYDROLASE JANSSEN PHARMACEUTICA N.V. (BE) 2009-05-07 WO disclosed