SCHEMBL751332

SCHEMBL751332

[AsH2]C1CCN(Cc2c[nH]c3cc(Oc4nc5ccccc5s4)ccc23)CC1

nearest known ligand 0.55

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 20/20 0.55
EPHX2 P34913 1/20 0.49
KCNH2 Q12809 6/20 0.49

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
SCHEMBL744056 0.91 LTA4H (0.59) LTA4HEPHX2KCNH2
Hydrochloric Acid SCHEMBL3749472 0.90 LTA4H (0.58) LTA4HEPHX2KCNH2
SCHEMBL743599 0.90 LTA4H (0.66) LTA4HEPHX2KCNH2
SCHEMBL3750715 0.89 DRD2 (0.55) LTA4HEPHX2KCNH2
SCHEMBL743903 0.89 LTA4H (0.59) LTA4HEPHX2KCNH2
SCHEMBL743354 0.89 LTA4H (0.59) LTA4HEPHX2KCNH2
SCHEMBL743275 0.89 LTA4H (0.67) LTA4HEPHX2KCNH2
SCHEMBL743395 0.88 LTA4H (0.71) LTA4HEPHX2KCNH2
SCHEMBL13080562 0.88 LTA4H (0.51) LTA4HEPHX2KCNH2
SCHEMBL743355 0.87 LTA4H (0.69) LTA4HEPHX2KCNH2

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-2430019-A1 COMPOUNDS WITH TWO FUSED BICYCLIC HETEROARYL MOIETIES AS MODULATORS OF LEUKOTRIENE A4 HYDROLASE Janssen Pharmaceutica, N.V. (BE) 2012-03-21 EP claimed
WO-2010132599-A1 COMPOUNDS WITH TWO FUSED BICYCLIC HETEROARYL MOIETIES AS MODULATORS OF LEUKOTRIENE A4 HYDROLASE JANSSEN PHARMACEUTICA NV (BE) 2010-11-18 WO claimed