SCHEMBL6965739

SCHEMBL6965739

CCCCCCCN1CC[C@@H](CCCc2ccnc3ccc(O)cc23)[C@@H](CC)C1

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 8/20 0.45
HTR1A P08908 7/20 0.45
DRD1 P21728 7/20 0.45
DRD4 P21917 7/20 0.45
DRD5 P21918 7/20 0.45
DRD2 P14416 7/20 0.45
CCR8 P51685 1/20 0.39
MAPT P10636 1/20 0.35

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
SCHEMBL6971729 0.88 CCR8 (0.52) HTR1ACCR8
SCHEMBL6968017 0.87 CCR8 (0.44) DRD3HTR1ADRD1DRD4DRD5
SCHEMBL6966012 0.86 CCR8 (0.42) DRD3HTR1ADRD1DRD4DRD5
SCHEMBL6969343 0.85 CCR8 (0.42) DRD3HTR1ADRD1DRD4DRD5
SCHEMBL6970280 0.85 CCR8 (0.44) DRD3HTR1ADRD1DRD4DRD5
SCHEMBL6960454 0.84 HTR1A (0.44) DRD3HTR1ADRD1DRD4DRD5
SCHEMBL6960457 0.84 HTR1A (0.44) DRD3HTR1ADRD1DRD4DRD5
SCHEMBL6972423 0.84 CCR8 (0.43) HTR1ADRD2CCR8MAPT
SCHEMBL6974682 0.84 CCR8 (0.43) HTR1ADRD2CCR8MAPT
SCHEMBL6965276 0.83 CCR8 (0.53) CCR8

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