SCHEMBL7084817

SCHEMBL7084817

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

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MTNR1B P49286 4/20 0.47
MTNR1A P48039 3/20 0.47
CCR8 P51685 1/20 0.47
KCNH2 Q12809 5/20 0.42
SLC2A1 P11166 1/20 0.41

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
SCHEMBL6976743 0.94 CCR8 (0.48) MTNR1BMTNR1ACCR8KCNH2SLC2A1
SCHEMBL7081016 0.90 CCR8 (0.48) MTNR1BMTNR1ACCR8KCNH2SLC2A1
SCHEMBL6970611 0.90 CCR8 (0.48) MTNR1BMTNR1ACCR8KCNH2SLC2A1
SCHEMBL6976739 0.89 MTNR1A (0.46) MTNR1BMTNR1ACCR8KCNH2SLC2A1
SCHEMBL6868975 0.86 CCR8 (0.51) MTNR1BMTNR1ACCR8KCNH2SLC2A1
SCHEMBL6971729 0.86 CCR8 (0.52) MTNR1BMTNR1ACCR8KCNH2SLC2A1
SCHEMBL6967092 0.86 CCR8 (0.48) MTNR1BMTNR1ACCR8KCNH2SLC2A1
SCHEMBL8128120 0.86 CCR8 (0.47) MTNR1BMTNR1ACCR8KCNH2SLC2A1
SCHEMBL6964570 0.85 CCR8 (0.50) MTNR1BMTNR1ACCR8KCNH2SLC2A1
SCHEMBL6965118 0.85 CCR8 (0.50) MTNR1BMTNR1ACCR8KCNH2SLC2A1

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