SCHEMBL4755387

SCHEMBL4755387

O=C(O)c1ccc(CN2C[C@@H]3C[C@H]2CN3Cc2ccc(OC(F)(F)C(F)C(F)F)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 9/20 0.53
ALDH1A1 P00352 1/20 0.47
TSHR P16473 1/20 0.47
HSD17B10 Q99714 1/20 0.47
GCGR P47871 1/20 0.41
GIPR P48546 1/20 0.41
PTGER4 P35408 4/20 0.39
SIGMAR1 Q99720 1/20 0.38
HCRTR1 O43613 1/20 0.37
HCRTR2 O43614 1/20 0.37
TEAD1 P28347 1/20 0.37
FAAH O00519 1/20 0.37
EPHX2 P34913 1/20 0.37

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
SCHEMBL4757698 0.94 LTA4H (0.52) LTA4HALDH1A1TSHRHSD17B10GCGR
SCHEMBL3036713 0.92 LTA4H (0.56) LTA4HALDH1A1TSHRHSD17B10GCGR
SCHEMBL3038590 0.89 ALDH1A1 (0.63) LTA4HALDH1A1TSHRHSD17B10GCGR
SCHEMBL3036296 0.86 LTA4H (0.56) LTA4HGCGRGIPRPTGER4TEAD1
SCHEMBL4818032 0.85 LTA4H (0.51) LTA4HALDH1A1TSHRHSD17B10GCGR
SCHEMBL3038994 0.83 LTA4H (0.57) LTA4HALDH1A1TSHRSIGMAR1
SCHEMBL4753971 0.81 LTA4H (0.53) LTA4HALDH1A1SIGMAR1
SCHEMBL3040886 0.80 LTA4H (0.55) LTA4HALDH1A1TSHRPTGER4
SCHEMBL3036716 0.80 LTA4H (0.59) LTA4HALDH1A1PTGER4HCRTR1HCRTR2
SCHEMBL4790381 0.80 LTA4H (0.59) LTA4HALDH1A1PTGER4HCRTR1HCRTR2

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