SCHEMBL4449082

SCHEMBL4449082

COc1ccc2c(n1)N(CC(COCc1ccccc1)[N+]1(C(C)(C)C)CCC(N(Cc3cc4c(cn3)OCCO4)C(=O)[O-])CC1)C(=O)CC2

nearest known ligand 0.33

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 7/20 0.33

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
SCHEMBL3329065 0.83 KCNH2 (0.36) KCNH2
SCHEMBL4442347 0.83 LMNA (0.33) KCNH2
SCHEMBL19470003 0.82 KCNH2 (0.33) KCNH2
SCHEMBL3324223 0.75 KCNH2 (0.38) KCNH2
SCHEMBL4437994 0.74 KCNH2 (0.35) KCNH2
SCHEMBL3843472 0.69 KCNH2 (0.54) KCNH2
SCHEMBL3327472 0.65 HSD11B1 (0.37)
SCHEMBL3367036 0.65 HTR2C (0.40)
SCHEMBL3329038 0.65 LNPEP (0.37) KCNH2
SCHEMBL3328621 0.65 HSD11B1 (0.37)

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-2137196-A1 TRICYCLIC NITROGEN CONTAINING COMPOUNDS AS ANTIBACTERIAL AGENTS Glaxo Group Limited (GB) 2009-12-30 EP disclosed
WO-2008128942-A1 TRICYCLIC NITROGEN CONTAINING COMPOUNDS AS ANTIBACTERIAL AGENTS GLAXO GROUP LIMITED (GB) 2008-10-30 WO disclosed