SCHEMBL6975728

SCHEMBL6975728

CCCCCCCN1CCC(CCCc2ccnc3ccc(OC)cc23)CC1

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CCR8 P51685 2/20 0.56
KCNH2 Q12809 7/20 0.51
MTNR1A P48039 3/20 0.46
MTNR1B P49286 3/20 0.46
SIGMAR1 Q99720 1/20 0.46
SLC2A1 P11166 1/20 0.43
MCHR1 Q99705 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
SCHEMBL8133161 0.89 CCR8 (0.45) CCR8KCNH2
SCHEMBL6626735 0.89 CCR8 (0.54) CCR8KCNH2MTNR1AMTNR1B
SCHEMBL6971729 0.86 CCR8 (0.52) CCR8KCNH2MTNR1AMTNR1BSIGMAR1
SCHEMBL6971984 0.85 CCR8 (0.49) CCR8KCNH2MTNR1AMTNR1BSLC2A1
SCHEMBL8127941 0.85 CCR8 (0.49) CCR8KCNH2MTNR1AMTNR1BSLC2A1
SCHEMBL6868975 0.85 CCR8 (0.51) CCR8KCNH2MTNR1AMTNR1BSLC2A1
SCHEMBL6964570 0.84 CCR8 (0.50) CCR8KCNH2MTNR1AMTNR1BSLC2A1
SCHEMBL6973703 0.84 CCR8 (0.48) CCR8KCNH2MTNR1AMTNR1BSIGMAR1
SCHEMBL6965118 0.84 CCR8 (0.50) CCR8KCNH2MTNR1AMTNR1BSLC2A1
SCHEMBL6973699 0.84 CCR8 (0.48) CCR8KCNH2MTNR1AMTNR1BSIGMAR1

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