SCHEMBL4753971

SCHEMBL4753971

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

nearest known ligand 0.53

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 15/20 0.53
SIGMAR1 Q99720 1/20 0.38
KMT2A Q03164 1/20 0.38
ALDH1A1 P00352 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
SCHEMBL3038994 0.88 LTA4H (0.57) LTA4HSIGMAR1KMT2AALDH1A1
SCHEMBL4753500 0.88 LTA4H (0.44) LTA4HSIGMAR1KMT2AALDH1A1
SCHEMBL4757643 0.86 LTA4H (0.42) LTA4HSIGMAR1KMT2AALDH1A1
SCHEMBL4757698 0.84 LTA4H (0.52) LTA4HALDH1A1
SCHEMBL3036713 0.81 LTA4H (0.56) LTA4HALDH1A1
SCHEMBL4755387 0.81 LTA4H (0.53) LTA4HSIGMAR1ALDH1A1
SCHEMBL3037103 0.80 LTA4H (0.65) LTA4H
SCHEMBL3036296 0.80 LTA4H (0.56) LTA4H
SCHEMBL4757592 0.80 LTA4H (0.38) LTA4HSIGMAR1KMT2A
SCHEMBL27810028 0.79 KMT2A (0.56) KMT2AALDH1A1

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 claimed
WO-2007079078-A1 DIAMINE DERIVATIVES AS INHIBITORS OF LEUKOTRIENE A4 HYDROLASE BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2007-07-12 WO claimed