SCHEMBL4757643

SCHEMBL4757643

COc1cc(C(=O)O)ccc1CN1C[C@@H]2C[C@H]1CN2Cc1ccc(OC(F)C(F)C(F)F)cc1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 3/20 0.42
PRKG1 Q13976 1/20 0.41
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
ALDH1A1 P00352 1/20 0.38
TSHR P16473 1/20 0.38
SIGMAR1 Q99720 1/20 0.37
PLA2G4A P47712 1/20 0.36
CXCR4 P61073 1/20 0.36
MRGPRX4 Q96LA9 1/20 0.36
HTR2A P28223 1/20 0.35

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
SCHEMBL4753971 0.86 LTA4H (0.53) LTA4HKMT2AALDH1A1SIGMAR1
SCHEMBL31688124 0.83 LTA4H (0.44) LTA4HPRKG1MEN1KMT2AALDH1A1
SCHEMBL3036067 0.83 LTA4H (0.44) LTA4HPRKG1MEN1KMT2AALDH1A1
SCHEMBL4753500 0.81 LTA4H (0.44) LTA4HMEN1KMT2AALDH1A1SIGMAR1
SCHEMBL3039178 0.81 LTA4H (0.45) LTA4HPRKG1MEN1KMT2AALDH1A1
SCHEMBL31688123 0.81 LTA4H (0.45) LTA4HPRKG1MEN1KMT2AALDH1A1
SCHEMBL4757592 0.81 LTA4H (0.38) LTA4HMEN1KMT2ASIGMAR1
SCHEMBL3030395 0.80 LTA4H (0.44) LTA4HPRKG1MEN1KMT2AALDH1A1
SCHEMBL3038994 0.76 LTA4H (0.57) LTA4HMEN1KMT2AALDH1A1TSHR
SCHEMBL3038998 0.76 KMT2A (0.39) LTA4HMEN1KMT2A

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