SCHEMBL6669040

SCHEMBL6669040

COc1ccc2nc(C(N)=O)cc(C3CC(C(=O)O)CCN3CCc3cc4c(cn3)OCCO4)c2n1

nearest known ligand 0.45

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 14/20 0.45

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
SCHEMBL6666166 0.89 KCNH2 (0.39) KCNH2
SCHEMBL6667455 0.85 ALDH1A1 (0.37) KCNH2
SCHEMBL6667354 0.84 KCNH2 (0.44) KCNH2
SCHEMBL6669762 0.84 ALDH1A1 (0.40) KCNH2
SCHEMBL6664491 0.78 HTR1A (0.35) KCNH2
SCHEMBL6661599 0.77 SLC2A1 (0.36) KCNH2
SCHEMBL6669043 0.76 KCNH2 (0.54) KCNH2
SCHEMBL14573157 0.71 KCNH2 (0.73) KCNH2
SCHEMBL5656515 0.67 KCNH2 (0.44) KCNH2
SCHEMBL7014183 0.67 PIK3CA (0.35) 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-1392686-A1 BICYCLIC NITROGEN-CONTAINING HETEROCYCLIC DERIVATIVES FOR USE AS ANTIBACTERIALS SMITHKLINE BEECHAM PLC (GB) 2004-03-03 EP claimed
WO-2002096907-A1 BICYCLIC NITROGEN-CONTAINING HETEROCYCLIC DERIVATIVES FOR USE AS ANTIBACTERIALS SMITHKLINE BEECHAM P.L.C. (GB) 2002-12-05 WO claimed