SCHEMBL6976739

SCHEMBL6976739

CCCCCCCN1CC[C@@H](CCCc2ccnc3ccc(OC)cc23)[C@@H](C(C)OC(=O)NCC)C1

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 3/20 0.46
MTNR1B P49286 3/20 0.46
CCR8 P51685 1/20 0.45
SLC2A1 P11166 1/20 0.41
KCNH2 Q12809 4/20 0.40

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
SCHEMBL6968976 0.91 CCR8 (0.47) MTNR1AMTNR1BCCR8SLC2A1KCNH2
SCHEMBL7084817 0.89 MTNR1B (0.47) MTNR1AMTNR1BCCR8SLC2A1KCNH2
SCHEMBL6976743 0.89 CCR8 (0.48) MTNR1AMTNR1BCCR8SLC2A1KCNH2
SCHEMBL6868973 0.87 CCR8 (0.49) MTNR1AMTNR1BCCR8SLC2A1KCNH2
SCHEMBL8132268 0.87 CCR8 (0.49) MTNR1AMTNR1BCCR8SLC2A1KCNH2
SCHEMBL6963986 0.87 CCR8 (0.49) MTNR1AMTNR1BCCR8SLC2A1KCNH2
SCHEMBL8127943 0.85 CCR8 (0.48) MTNR1AMTNR1BCCR8SLC2A1KCNH2
SCHEMBL6964191 0.85 CCR8 (0.48) MTNR1AMTNR1BCCR8SLC2A1KCNH2
SCHEMBL6970273 0.83 CCR8 (0.48) MTNR1AMTNR1BCCR8SLC2A1KCNH2
SCHEMBL6970277 0.83 CCR8 (0.48) MTNR1AMTNR1BCCR8SLC2A1KCNH2

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-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