SCHEMBL14100736

SCHEMBL14100736

CN(C=O)C1CCN(Cc2ccc(Oc3nc4ccccc4s3)cc2)CC1

nearest known ligand 0.70

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 20/20 0.70
KCNH2 Q12809 12/20 0.67

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
SCHEMBL4695154 0.90 LTA4H (0.71) LTA4HKCNH2
SCHEMBL4691026 0.87 LTA4H (0.72) LTA4HKCNH2
SCHEMBL4688899 0.87 LTA4H (0.67) LTA4HKCNH2
SCHEMBL14100766 0.86 LTA4H (0.68) LTA4HKCNH2
SCHEMBL4689563 0.86 LTA4H (0.71) LTA4HKCNH2
SCHEMBL4693323 0.86 LTA4H (0.75) LTA4HKCNH2
SCHEMBL4694860 0.85 LTA4H (0.72) LTA4HKCNH2
SCHEMBL4707753 0.85 LTA4H (0.69) LTA4HKCNH2
SCHEMBL4688663 0.85 LTA4H (0.70) LTA4HKCNH2
SCHEMBL14640183 0.84 LTA4H (0.80) LTA4HKCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1660491-B1 BENZIMIDAZOLE, BENZTHIAZOLE AND BENZOXAZOLE DERIVATIVES AND THEIR USE AS LTA4H MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2008-08-06 EP disclosed