SCHEMBL5764668

SCHEMBL5764668

COc1ccc2nccc(NC(=O)OC3CCN(CCc4ccc5c(c4)OCO5)CC3)c2n1

nearest known ligand 0.53

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 12/20 0.53
MCHR1 Q99705 1/20 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
SCHEMBL5764517 0.95 KCNH2 (0.58) KCNH2
SCHEMBL14573143 0.89 KCNH2 (0.55) KCNH2MCHR1
SCHEMBL5777234 0.88 KCNH2 (0.52) KCNH2MCHR1
SCHEMBL5764950 0.86 HTR1A (0.51) KCNH2
SCHEMBL5764847 0.86 KCNH2 (0.48) KCNH2
SCHEMBL5750641 0.86 KCNH2 (0.52) KCNH2MCHR1
SCHEMBL5750940 0.86 KCNH2 (0.54) KCNH2MCHR1
SCHEMBL14573144 0.85 KCNH2 (0.61) KCNH2
SCHEMBL5765881 0.84 KCNH2 (0.45) KCNH2
SCHEMBL5763984 0.84 KCNH2 (0.45) 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-1392686-B1 BICYCLIC NITROGEN-CONTAINING HETEROCYCLIC DERIVATIVES FOR USE AS ANTIBACTERIALS SMITHKLINE BEECHAM PLC (GB) 2006-10-18 EP claimed