SCHEMBL4757592

SCHEMBL4757592

COc1c(C(=O)O)ccc(CN2C[C@@H]3C[C@H]2CN3Cc2ccc(OC(F)C(F)C(F)F)cc2)c1C

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.38
SIGMAR1 Q99720 2/20 0.36
S1PR5 Q9H228 2/20 0.33
S1PR1 P21453 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
CMA1 P23946 1/20 0.32

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
SCHEMBL4757643 0.81 LTA4H (0.42) LTA4HSIGMAR1MEN1KMT2A
SCHEMBL4753971 0.80 LTA4H (0.53) LTA4HSIGMAR1KMT2A
SCHEMBL4753500 0.77 LTA4H (0.44) LTA4HSIGMAR1MEN1KMT2A
SCHEMBL3038994 0.69 LTA4H (0.57) LTA4HSIGMAR1MEN1KMT2A
SCHEMBL3040613 0.67 LTA4H (0.42) LTA4HSIGMAR1S1PR1
SCHEMBL4757698 0.66 LTA4H (0.52) LTA4H
SCHEMBL4755387 0.65 LTA4H (0.53) LTA4HSIGMAR1
SCHEMBL3036067 0.65 LTA4H (0.44) LTA4HSIGMAR1MEN1KMT2A
SCHEMBL31688124 0.65 LTA4H (0.44) LTA4HSIGMAR1MEN1KMT2A
SCHEMBL3035481 0.64 LTA4H (0.43) LTA4HSIGMAR1S1PR1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1976828-A1 DIAMINE DERIVATIVES AS INHIBITORS OF LEUKOTRIENE A4 HYDROLASE Schering Aktiengesellschaft (DE) 2008-10-08 EP disclosed
WO-2007079078-A1 DIAMINE DERIVATIVES AS INHIBITORS OF LEUKOTRIENE A4 HYDROLASE BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2007-07-12 WO disclosed