SCHEMBL6977020

SCHEMBL6977020

CC[C@H]1CN(CCCc2ccccc2)CC[C@H]1CCC(O)c1ccnc2ccc(OC)cc12

nearest known ligand 0.58

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 4/20 0.57
SLC2A1 P11166 1/20 0.52
CCR8 P51685 1/20 0.51

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
SCHEMBL6977079 1.00 KCNH2 (0.57) KCNH2SLC2A1CCR8
SCHEMBL6975581 0.95 KCNH2 (0.58) KCNH2
SCHEMBL6975577 0.95 KCNH2 (0.58) KCNH2
SCHEMBL7720427 0.92 KCNH2 (0.59) KCNH2SLC2A1
SCHEMBL7720435 0.92 KCNH2 (0.59) KCNH2SLC2A1
SCHEMBL7720429 0.92 KCNH2 (0.59) KCNH2SLC2A1
SCHEMBL7720767 0.91 KCNH2 (0.58) KCNH2SLC2A1
SCHEMBL7720772 0.91 KCNH2 (0.58) KCNH2SLC2A1
SCHEMBL6608754 0.90 KCNH2 (0.70) KCNH2
SCHEMBL6608743 0.90 KCNH2 (0.70) 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-1051413-B1 QUINOLINE DERIVATIVES AS ANTIBACTERIALS SMITHKLINE BEECHAM PLC (GB) 2003-06-04 EP claimed