SCHEMBL6974309

SCHEMBL6974309

CCCCCCCN1CCC(COc2ccnc3ccc(OC)cc23)CC1

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CCR8 P51685 2/20 0.57
HTR4 Q13639 3/20 0.43
KCNH2 Q12809 2/20 0.43
HTR1A P08908 1/20 0.42
ADRA1D P25100 1/20 0.42
ADRA1A P35348 1/20 0.42
ADRA1B P35368 1/20 0.42
KMT5A Q9NQR1 1/20 0.42
SLC2A1 P11166 1/20 0.42
MCHR1 Q99705 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
SCHEMBL8127825 0.95 CCR8 (0.53) CCR8HTR4KCNH2ADRA1BKMT5A
SCHEMBL7085656 0.86 CCR8 (0.53) CCR8KCNH2HTR1AADRA1DADRA1A
SCHEMBL6975728 0.82 CCR8 (0.56) CCR8KCNH2SLC2A1MCHR1
SCHEMBL6971959 0.82 CCR8 (0.55) CCR8KCNH2HTR1AADRA1DADRA1A
SCHEMBL6971963 0.82 CCR8 (0.55) CCR8KCNH2HTR1AADRA1DADRA1A
SCHEMBL6964639 0.81 SLC2A1 (0.55) CCR8KCNH2SLC2A1
SCHEMBL6964635 0.81 SLC2A1 (0.55) CCR8KCNH2SLC2A1
SCHEMBL6964644 0.81 SLC2A1 (0.55) CCR8KCNH2SLC2A1
SCHEMBL6977177 0.79 CCR8 (0.53) CCR8KCNH2SLC2A1MCHR1
SCHEMBL6977170 0.79 CCR8 (0.53) CCR8KCNH2SLC2A1MCHR1

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