SCHEMBL5776517

SCHEMBL5776517

COc1ccc2nccc(NC(=O)ON3CCN(CCc4ccc5nsnc5c4)CC3)c2n1

nearest known ligand 0.43

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 11/20 0.43

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
SCHEMBL5764847 0.87 KCNH2 (0.48) KCNH2
SCHEMBL5775582 0.86 KCNH2 (0.58) KCNH2
SCHEMBL5777234 0.86 KCNH2 (0.52) KCNH2
SCHEMBL14573147 0.85 KCNH2 (0.49) KCNH2
SCHEMBL5777425 0.83 KCNH2 (0.40) KCNH2
SCHEMBL5774252 0.80 KCNH2 (0.40) KCNH2
SCHEMBL5774180 0.76 KCNH2 (0.42) KCNH2
SCHEMBL14341199 0.74 KCNH2 (0.64) KCNH2
SCHEMBL5764668 0.73 KCNH2 (0.53) KCNH2
SCHEMBL5764517 0.73 KCNH2 (0.58) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1343780-B1 PIPERAZINE DERIVATIVES FOR TREATMENT OF BACTERIAL INFECTIONS SMITHKLINE BEECHAM PLC (GB) 2006-09-20 EP claimed