SCHEMBL7014186

SCHEMBL7014186

COc1ccc2nccc(N)c2n1.O=C(O)N1CCN(CCc2cnc3ccccc3n2)CC1

nearest known ligand 0.42

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
FAAH O00519 2/20 0.42
KCNH2 Q12809 5/20 0.39

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
SCHEMBL5774764 0.80 FAAH (0.60) FAAHKCNH2
SCHEMBL5774252 0.78 KCNH2 (0.40) FAAHKCNH2
SCHEMBL14573150 0.77 KCNH2 (0.51) KCNH2
SCHEMBL5764918 0.76 KCNH2 (0.45) KCNH2
SCHEMBL7014183 0.72 PIK3CA (0.35) FAAHKCNH2
Oxalic Acid SCHEMBL5255846 0.71 POLB (0.40) KCNH2
SCHEMBL6669043 0.71 KCNH2 (0.54) KCNH2
SCHEMBL6667359 0.70 KCNH2 (0.52) KCNH2
SCHEMBL590199 0.69 MAP4K4 (0.44) KCNH2
Fumaric Acid SCHEMBL5264306 0.69 POLB (0.37) KCNH2

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-1343780-A1 PIPERAZINE DERIVATIVES FOR TREATMENT OF BACTERIAL INFECTIONS SMITHKLINE BEECHAM PLC (GB) 2003-09-17 EP claimed
WO-2002050061-A1 PIPERAZINE DERIVATIVES FOR TREATMENT OF BACTERIAL INFECTIONS SMITHKLINE BEECHAM P.L.C. (GB) 2002-06-27 WO claimed