SCHEMBL1379534

SCHEMBL1379534

CNC(=O)Nc1cccc(CC(c2cccnc2)(c2cccnc2)c2cccc(OC)n2)n1

nearest known ligand 0.42

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PTGER2 P43116 7/20 0.36
GRM5 P41594 3/20 0.35
GCK P35557 2/20 0.35
SORT1 Q99523 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
SCHEMBL1379181 0.89 PTGER2 (0.36) PTGER2GRM5SORT1
SCHEMBL1381518 0.83 KCNA5 (0.37) PTGER2
SCHEMBL1381052 0.81 GRM5 (0.42) GRM5
SCHEMBL1379427 0.81 NPSR1 (0.47)
SCHEMBL3812287 0.80 CYP19A1 (0.33)
SCHEMBL3814663 0.79 BACE1 (0.33)
SCHEMBL3813507 0.79 NAMPT (0.42) PTGER2GRM5
SCHEMBL1382204 0.78 SMN1; SMN2 (0.42) GRM5
SCHEMBL1382291 0.77 NPC1 (0.37) PTGER2GRM5
SCHEMBL3816707 0.76 PTGS2 (0.32)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4719744-B2 2011-07-06 JP claimed
EP-1776355-A4 POTASSIUM CHANNEL INHIBITORS MERCK & CO INC (US) 2009-08-12 EP claimed
EP-1776355-A2 POTASSIUM CHANNEL INHIBITORS Merck & Co., Inc. (US) 2007-04-25 EP claimed
WO-2006014877-A2 POTASSIUM CHANNEL INHIBITORS MERCK & CO., INC. (US) 2006-02-09 WO claimed