SCHEMBL5751874

SCHEMBL5751874

COc1ccc2nccc(CNCC3(O)CCNCC3)c2n1

nearest known ligand 0.40

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 10/20 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
SCHEMBL4062339 0.84 KCNH2 (0.44) KCNH2
SCHEMBL5751526 0.83 KCNH2 (0.42) KCNH2
SCHEMBL5751876 0.75 FGFR1 (0.36) KCNH2
SCHEMBL5746863 0.75 KCNH2 (0.44) KCNH2
SCHEMBL1224605 0.75 SIGMAR1 (0.45) KCNH2
SCHEMBL5749909 0.71 KCNH2 (0.57) KCNH2
SCHEMBL3958709 0.70 KCNH2 (0.55) KCNH2
SCHEMBL3689266 0.70 KCNH2 (0.46) KCNH2
SCHEMBL14400282 0.69 KCNH2 (0.41) KCNH2
SCHEMBL1224748 0.69 KCNH2 (0.38) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1419155-B1 PIPERIDINE DERIVATIVES AS ANTIBACTERIAL AGENTS SMITHKLINE BEECHAM PLC (GB) 2006-11-08 EP disclosed
EP-1419155-A2 PIPERIDINE DERIVATIVES AS ANTIBACTERIAL AGENTS SMITHKLINE BEECHAM PLC (GB) 2004-05-19 EP disclosed
WO-2003010138-A2 PIPERIDINE DERIVATIVES AS ANTIBACTERIAL AGENTS SMITHKLINE BEECHAM PLC (GB) 2003-02-06 WO disclosed