SCHEMBL13072203

SCHEMBL13072203

CC(=O)N[C@H]1CC2C[C@@H](C1)N2Cc1cc2cc(Oc3nc4c(F)cccc4s3)ccc2o1

nearest known ligand 0.51

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 19/20 0.51
KCNH2 Q12809 3/20 0.44
CXCR6 O00574 1/20 0.43

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
SCHEMBL13051159 0.96 LTA4H (0.56) LTA4HKCNH2CXCR6
SCHEMBL745109 0.96 LTA4H (0.56) LTA4HKCNH2CXCR6
SCHEMBL12244441 0.85 LTA4H (0.65) LTA4HKCNH2CXCR6
SCHEMBL13051156 0.84 LTA4H (0.72) LTA4HKCNH2
SCHEMBL742387 0.84 LTA4H (0.72) LTA4HKCNH2
SCHEMBL1902477 0.82 LTA4H (0.60) LTA4HKCNH2CXCR6
SCHEMBL12245170 0.82 LTA4H (0.60) LTA4HKCNH2CXCR6
SCHEMBL13051160 0.82 LTA4H (0.73) LTA4HKCNH2
SCHEMBL742327 0.82 LTA4H (0.73) LTA4HKCNH2
SCHEMBL13051165 0.82 LTA4H (0.73) 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-2010132599-A1 COMPOUNDS WITH TWO FUSED BICYCLIC HETEROARYL MOIETIES AS MODULATORS OF LEUKOTRIENE A4 HYDROLASE JANSSEN PHARMACEUTICA NV (BE) 2010-11-18 WO disclosed