SCHEMBL6485496

SCHEMBL6485496

COc1ccc2nccc([C@H](O)CN3CCN(CCCOc4ccccc4)CC3)c2c1

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 8/20 0.53
KCNH2 Q12809 3/20 0.51
LMNA P02545 1/20 0.47
GAA P10253 1/20 0.47
HTT P42858 1/20 0.47
HRH3 Q9Y5N1 1/20 0.46

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
SCHEMBL6485488 1.00 SLC2A1 (0.53) SLC2A1KCNH2LMNAGAAHTT
SCHEMBL6485492 1.00 SLC2A1 (0.53) SLC2A1KCNH2LMNAGAAHTT
SCHEMBL5757405 0.89 SLC2A1 (0.59) SLC2A1KCNH2
SCHEMBL5757150 0.87 MAPT (0.55) SLC2A1KCNH2
SCHEMBL5757406 0.87 MAPT (0.55) SLC2A1KCNH2
SCHEMBL5757409 0.87 MAPT (0.55) SLC2A1KCNH2
SCHEMBL6498397 0.86 SLC2A1 (0.60) SLC2A1KCNH2
SCHEMBL6498402 0.86 SLC2A1 (0.60) SLC2A1KCNH2
SCHEMBL6645387 0.86 SLC2A1 (0.60) SLC2A1KCNH2
SCHEMBL6497372 0.86 SLC2A1 (0.60) SLC2A1KCNH2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6911442-B1 Quinoline derivatives as antibacterials SMITHKLINE BEECHAM P.L.C. (GB) 2005-06-28 US claimed
US-6911442-B1 Quinoline derivatives as antibacterials SMITHKLINE BEECHAM P.L.C. (GB) 2005-06-28 US disclosed
EP-1187828-B1 QUINOLINE DERIVATIVES AS ANTIBACTERIALS SMITHKLINE BEECHAM PLC (GB) 2004-04-21 EP disclosed