SCHEMBL6969668

SCHEMBL6969668

CCCCCCCN1CCC(C(=O)Nc2ccnc3ccc(OC)cc23)CC1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CCR8 P51685 2/20 0.55
KCNH2 Q12809 2/20 0.53
HTR1A P08908 1/20 0.48
ADRA1D P25100 1/20 0.48
ADRA1A P35348 1/20 0.48
ADRA1B P35368 1/20 0.48
KDM4E B2RXH2 1/20 0.46
TSHR P16473 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
SLC2A1 P11166 1/20 0.46
MCHR1 Q99705 1/20 0.46
EPHX2 P34913 1/20 0.44
MTNR1A P48039 1/20 0.43
MTNR1B P49286 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
GSK3B P49841 1/20 0.42
DYRK1A Q13627 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
SCHEMBL6222506 0.88 CCR8 (0.54) CCR8KCNH2HTR1AADRA1DADRA1A
SCHEMBL6221871 0.88 CHRM3 (0.54) CCR8HTR1AADRA1DADRA1AADRA1B
SCHEMBL6221266 0.82 CCR8 (0.49) CCR8HTR1AADRA1DADRA1AADRA1B
SCHEMBL6214270 0.82 KCNH2 (0.51) KCNH2GSK3BDYRK1A
SCHEMBL7828696 0.81 CCR8 (0.50) CCR8KCNH2HTR1AADRA1DADRA1A
SCHEMBL6224111 0.81 CCR8 (0.49) CCR8KCNH2HTR1AADRA1DADRA1A
SCHEMBL6224107 0.81 CCR8 (0.49) CCR8KCNH2HTR1AADRA1DADRA1A
SCHEMBL6224110 0.81 CCR8 (0.49) CCR8KCNH2HTR1AADRA1DADRA1A
SCHEMBL6970302 0.80 ADRA1A (0.48) KCNH2HTR1AADRA1DADRA1AADRA1B
SCHEMBL7848895 0.80 CCR8 (0.48) CCR8KCNH2HTR1AADRA1DADRA1A

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 4 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-A1 QUINOLINE DERIVATIVES AS ANTIBACTERIALS SMITHKLINE BEECHAM PLC (GB) 2000-11-15 EP claimed
WO-1999037635-A1 QUINOLINE DERIVATIVES AS ANTIBACTERIALS SMITHKLINE BEECHAM PLC (GB) 1999-07-29 WO claimed
EP-1051413-B1 QUINOLINE DERIVATIVES AS ANTIBACTERIALS SMITHKLINE BEECHAM PLC (GB) 2003-06-04 EP disclosed