SCHEMBL4775783

SCHEMBL4775783

COc1cnc2cccc(NC(=O)C3CCC(NCc4ccc5c(n4)OC(=O)CN5)CN3)c2n1

nearest known ligand 0.44

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 4/20 0.44
SLC2A1 P11166 2/20 0.35

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
SCHEMBL4499945 0.81 KCNH2 (0.64) KCNH2
SCHEMBL4517432 0.81 KCNH2 (0.52) KCNH2
SCHEMBL4776884 0.80 KCNH2 (0.33) KCNH2
SCHEMBL4509808 0.80 KCNH2 (0.41) KCNH2
SCHEMBL4512948 0.74 SLC2A1 (0.40) KCNH2SLC2A1
SCHEMBL4512954 0.74 SLC2A1 (0.40) KCNH2SLC2A1
SCHEMBL4508482 0.73 KCNH2 (0.80) KCNH2
SCHEMBL4498750 0.73 KCNH2 (0.80) KCNH2
SCHEMBL4515712 0.73 KCNH2 (0.54) KCNH2
SCHEMBL4512787 0.73 KCNH2 (0.54) 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-1891078-A1 AMINOPIPERIDINE QUINOLINES AND THEIR AZAISOSTERIC ANALOGUES WITH ANTIBACTERIAL ACTIVITY AstraZeneca AB (SE) 2008-02-27 EP disclosed
WO-2006125974-A1 AMINOPIPERIDINE QUINOLINES AND THEIR AZAISOSTERIC ANALOGUES WITH ANTIBACTERIAL ACTIVITY ASTRAZENECA AB (SE) 2006-11-30 WO disclosed