SCHEMBL5773885

SCHEMBL5773885

COc1ccc2nccc([C@H](O)CN3CCC(NCc4ccc5cc(O)ccc5n4)CC3)c2n1

nearest known ligand 0.68

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 8/20 0.68
SLC2A1 P11166 5/20 0.60

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
SCHEMBL4276747 0.87 KCNH2 (0.65) KCNH2SLC2A1
SCHEMBL4276734 0.87 KCNH2 (0.65) KCNH2SLC2A1
SCHEMBL4276754 0.87 KCNH2 (0.65) KCNH2SLC2A1
SCHEMBL4277694 0.84 KCNH2 (0.70) KCNH2SLC2A1
SCHEMBL5774216 0.84 SLC2A1 (0.49) KCNH2SLC2A1
SCHEMBL7014297 0.82 KCNH2 (0.65) KCNH2SLC2A1
SCHEMBL5251676 0.82 KCNH2 (0.63) KCNH2SLC2A1
SCHEMBL14519830 0.81 KCNH2 (1.00) KCNH2SLC2A1
SCHEMBL14610801 0.81 KCNH2 (0.65) KCNH2SLC2A1
SCHEMBL5308548 0.81 KCNH2 (0.73) KCNH2SLC2A1

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-1305308-B1 AMINOPIPERIDINE QUINOLINES AND THEIR AZAISOSTERIC ANALOGUES WITH ANTIBACTERIAL ACTIVITY SMITHKLINE BEECHAM PLC (GB) 2006-12-20 EP claimed