SCHEMBL6964570

SCHEMBL6964570

CCCCCCCN1CC[C@@H](CCCc2ccnc3ccc(OC)cc23)[C@@H](CCCO)C1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CCR8 P51685 2/20 0.50
MTNR1A P48039 3/20 0.45
MTNR1B P49286 3/20 0.45
KCNH2 Q12809 5/20 0.44
SLC2A1 P11166 1/20 0.40
CYP2D6 P10635 1/20 0.39
TSHR P16473 1/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
CYP3A4 P08684 1/20 0.39
HPGD P15428 1/20 0.39
KMT2A Q03164 1/20 0.39
HSD17B10 Q99714 1/20 0.39

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
SCHEMBL6965118 0.97 CCR8 (0.50) CCR8MTNR1AMTNR1BKCNH2SLC2A1
SCHEMBL6868975 0.94 CCR8 (0.51) CCR8MTNR1AMTNR1BKCNH2SLC2A1
SCHEMBL6971729 0.92 CCR8 (0.52) CCR8MTNR1AMTNR1BKCNH2SLC2A1
SCHEMBL6966222 0.90 CCR8 (0.49) CCR8MTNR1AMTNR1BKCNH2SLC2A1
SCHEMBL6970273 0.90 CCR8 (0.48) CCR8MTNR1AMTNR1BKCNH2SLC2A1
SCHEMBL6970277 0.90 CCR8 (0.48) CCR8MTNR1AMTNR1BKCNH2SLC2A1
SCHEMBL6967092 0.89 CCR8 (0.48) CCR8MTNR1AMTNR1BKCNH2SLC2A1
SCHEMBL6968981 0.88 CCR8 (0.48) CCR8MTNR1AMTNR1BKCNH2SLC2A1
SCHEMBL6965276 0.88 CCR8 (0.53) CCR8MTNR1AMTNR1BKCNH2SLC2A1
SCHEMBL6964191 0.88 CCR8 (0.48) CCR8MTNR1AMTNR1BKCNH2SLC2A1

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 6 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
EP-1051413-A1 QUINOLINE DERIVATIVES AS ANTIBACTERIALS SMITHKLINE BEECHAM PLC (GB) 2000-11-15 EP disclosed
WO-1999037635-A1 QUINOLINE DERIVATIVES AS ANTIBACTERIALS SMITHKLINE BEECHAM PLC (GB) 1999-07-29 WO disclosed