SCHEMBL6667359

SCHEMBL6667359

COc1ccc2nccc(N)c2n1.O=C(O)C1(O)CCN(CCc2cc3c(cn2)OCCO3)CC1

nearest known ligand 0.52

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 15/20 0.52

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
SCHEMBL6669043 0.87 KCNH2 (0.54) KCNH2
Hydrochloric Acid SCHEMBL6760325 0.84 KCNH2 (0.70) KCNH2
SCHEMBL5749375 0.81 KCNH2 (0.59) KCNH2
SCHEMBL5748093 0.80 ALDH1A1 (0.38) KCNH2
SCHEMBL14573157 0.76 KCNH2 (0.73) KCNH2
SCHEMBL6667354 0.75 KCNH2 (0.44) KCNH2
SCHEMBL6666169 0.75 KCNH2 (0.49) KCNH2
SCHEMBL5765611 0.75 KCNH2 (0.60) KCNH2
Hydrochloric Acid SCHEMBL5747059 0.72 KCNH2 (0.69) KCNH2
Hydrochloric Acid SCHEMBL5745600 0.72 KCNH2 (0.69) 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-1419155-A2 PIPERIDINE DERIVATIVES AS ANTIBACTERIAL AGENTS SMITHKLINE BEECHAM PLC (GB) 2004-05-19 EP claimed
WO-2003010138-A2 PIPERIDINE DERIVATIVES AS ANTIBACTERIAL AGENTS SMITHKLINE BEECHAM PLC (GB) 2003-02-06 WO claimed