SCHEMBL6969140

SCHEMBL6969140

CCCCCCCN1CC[C@@H](CCC(O)c2ccnc3ccc(OC)cc23)[C@@H](CCO)C1

nearest known ligand 0.58

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 3/20 0.55
SLC2A1 P11166 1/20 0.49
CCR8 P51685 1/20 0.49

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
SCHEMBL6969141 1.00 KCNH2 (0.55) KCNH2SLC2A1CCR8
SCHEMBL6971989 0.94 KCNH2 (0.56) KCNH2SLC2A1
SCHEMBL6963638 0.94 KCNH2 (0.56) KCNH2SLC2A1
SCHEMBL6971999 0.94 KCNH2 (0.56) KCNH2SLC2A1
SCHEMBL6969961 0.94 KCNH2 (0.56) KCNH2SLC2A1
SCHEMBL6963635 0.94 KCNH2 (0.56) KCNH2SLC2A1
SCHEMBL6971995 0.94 KCNH2 (0.56) KCNH2SLC2A1
SCHEMBL6975290 0.94 KCNH2 (0.56) KCNH2SLC2A1
SCHEMBL6966143 0.94 KCNH2 (0.56) KCNH2SLC2A1
SCHEMBL6865195 0.94 KCNH2 (0.56) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1051413-B1 QUINOLINE DERIVATIVES AS ANTIBACTERIALS SMITHKLINE BEECHAM PLC (GB) 2003-06-04 EP claimed
EP-1051413-B1 QUINOLINE DERIVATIVES AS ANTIBACTERIALS SMITHKLINE BEECHAM PLC (GB) 2003-06-04 EP disclosed