SCHEMBL6968976

SCHEMBL6968976

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

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CCR8 P51685 1/20 0.47
MTNR1A P48039 3/20 0.44
MTNR1B P49286 3/20 0.44
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
SCHEMBL6976739 0.91 MTNR1A (0.46) CCR8MTNR1AMTNR1BSLC2A1KCNH2
SCHEMBL8132268 0.89 CCR8 (0.49) CCR8MTNR1AMTNR1BSLC2A1KCNH2
SCHEMBL6963986 0.89 CCR8 (0.49) CCR8MTNR1AMTNR1BSLC2A1KCNH2
SCHEMBL6868973 0.89 CCR8 (0.49) CCR8MTNR1AMTNR1BSLC2A1KCNH2
SCHEMBL8127943 0.86 CCR8 (0.48) CCR8MTNR1AMTNR1BSLC2A1KCNH2
SCHEMBL6964191 0.86 CCR8 (0.48) CCR8MTNR1AMTNR1BSLC2A1KCNH2
SCHEMBL6970611 0.86 CCR8 (0.48) CCR8MTNR1AMTNR1BSLC2A1KCNH2
SCHEMBL7081016 0.86 CCR8 (0.48) CCR8MTNR1AMTNR1BSLC2A1KCNH2
SCHEMBL6968981 0.85 CCR8 (0.48) CCR8MTNR1AMTNR1BSLC2A1KCNH2
SCHEMBL6966222 0.85 CCR8 (0.49) CCR8MTNR1AMTNR1BSLC2A1KCNH2

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