SCHEMBL6498401

SCHEMBL6498401

CCCCCCCN1CCN(C[C@H](O)c2ccnc3ccc(OC)cc23)CC1

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 8/20 0.60
KCNH2 Q12809 2/20 0.53
CCR8 P51685 1/20 0.51
CYP2D6 P10635 4/20 0.47
KDM4E B2RXH2 3/20 0.47
ALDH1A1 P00352 3/20 0.47
HPGD P15428 3/20 0.47
HSD17B10 Q99714 3/20 0.47
TSHR P16473 1/20 0.47
MEN1 O00255 1/20 0.47
CYP3A4 P08684 1/20 0.47
KMT2A Q03164 1/20 0.47
CHRM2 P08172 1/20 0.47
ADRA2A P08913 1/20 0.47
SLC6A4 P31645 1/20 0.47
OPRM1 P35372 1/20 0.47
SLC6A3 Q01959 1/20 0.47
THRB P10828 1/20 0.42

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
SCHEMBL6498402 1.00 SLC2A1 (0.60) SLC2A1KCNH2CCR8CYP2D6KDM4E
SCHEMBL6648662 1.00 SLC2A1 (0.60) SLC2A1KCNH2CCR8CYP2D6KDM4E
SCHEMBL6497372 1.00 SLC2A1 (0.60) SLC2A1KCNH2CCR8CYP2D6KDM4E
SCHEMBL6645390 1.00 SLC2A1 (0.60) SLC2A1KCNH2CCR8CYP2D6KDM4E
SCHEMBL6498397 1.00 SLC2A1 (0.60) SLC2A1KCNH2CCR8CYP2D6KDM4E
SCHEMBL6645394 1.00 SLC2A1 (0.60) SLC2A1KCNH2CCR8CYP2D6KDM4E
SCHEMBL6648669 1.00 SLC2A1 (0.60) SLC2A1KCNH2CCR8CYP2D6KDM4E
SCHEMBL6645387 1.00 SLC2A1 (0.60) SLC2A1KCNH2CCR8CYP2D6KDM4E
Oxalic Acid SCHEMBL6484821 0.95 SLC2A1 (0.60) SLC2A1KCNH2CCR8
Oxalic Acid SCHEMBL6484327 0.95 SLC2A1 (0.60) SLC2A1KCNH2CCR8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1187828-B1 QUINOLINE DERIVATIVES AS ANTIBACTERIALS SMITHKLINE BEECHAM PLC (GB) 2004-04-21 EP 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
EP-1187828-A1 QUINOLINE DERIVATIVES AS ANTIBACTERIALS SMITHKLINE BEECHAM PLC (GB) 2002-03-20 EP disclosed
WO-2000078748-A1 QUINOLINE DERIVATIVES AS ANTIBACTERIALS SMITHKLINE BEECHAM P.L.C. (GB) 2000-12-28 WO disclosed