SCHEMBL5259762

SCHEMBL5259762

COc1ccc2nccc(NC(=O)O)c2n1.Oc1cccc2ccc(CNC3CCCCC3)nc12

nearest known ligand 0.51

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 6/20 0.50
PDE4D Q08499 1/20 0.39
MTNR1A P48039 1/20 0.38
MTNR1B P49286 1/20 0.38

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
SCHEMBL14498781 0.88 KCNH2 (0.65) KCNH2MTNR1AMTNR1B
SCHEMBL5260764 0.82 SLC2A1 (0.51) KCNH2
SCHEMBL5264690 0.82 KCNH2 (0.61) KCNH2
SCHEMBL5260522 0.79 KCNH2 (0.58) KCNH2
SCHEMBL5258829 0.79 KCNH2 (0.48) KCNH2
SCHEMBL5261624 0.79 KCNH2 (0.79) KCNH2
SCHEMBL5262816 0.78 KCNH2 (0.51) KCNH2
SCHEMBL5260199 0.76 KCNH2 (0.76) KCNH2
SCHEMBL4276734 0.76 KCNH2 (0.65) KCNH2
SCHEMBL4276747 0.76 KCNH2 (0.65) 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-1399443-B1 NITROGEN-CONTAINING BICYCLIC HETEROCYCLES FOR USE AS ANTIBACTERIALS SMITHKLINE BEECHAM PLC (GB) 2007-12-12 EP claimed