SCHEMBL6966012

SCHEMBL6966012

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR8 P51685 1/20 0.42
SCN1A P35498 1/20 0.38
SCN2A Q99250 1/20 0.38
SCN3A Q9NY46 1/20 0.38
KCNH2 Q12809 4/20 0.37
MTNR1A P48039 1/20 0.37
MTNR1B P49286 1/20 0.37
HTR1A P08908 5/20 0.36
DRD2 P14416 5/20 0.36
DRD1 P21728 5/20 0.36
DRD4 P21917 5/20 0.36
DRD5 P21918 5/20 0.36
DRD3 P35462 5/20 0.36
CYP2D6 P10635 3/20 0.35
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 2/20 0.35
HPGD P15428 2/20 0.35
HSD17B10 Q99714 2/20 0.35
TSHR P16473 1/20 0.35
MEN1 O00255 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
SCHEMBL6968017 0.94 CCR8 (0.44) CCR8SCN1ASCN2ASCN3AKCNH2
SCHEMBL6970280 0.92 CCR8 (0.44) CCR8SCN1ASCN2ASCN3AKCNH2
SCHEMBL6969343 0.92 CCR8 (0.42) CCR8SCN1ASCN2ASCN3AKCNH2
SCHEMBL6972423 0.91 CCR8 (0.43) CCR8SCN1ASCN2ASCN3AKCNH2
SCHEMBL6974682 0.91 CCR8 (0.43) CCR8SCN1ASCN2ASCN3AKCNH2
SCHEMBL6971729 0.90 CCR8 (0.52) CCR8KCNH2MTNR1AMTNR1BHTR1A
SCHEMBL6978601 0.88 CCR8 (0.39) CCR8SCN1ASCN2ASCN3AKCNH2
SCHEMBL6964570 0.88 CCR8 (0.50) CCR8KCNH2MTNR1AMTNR1BCYP2D6
SCHEMBL6965118 0.88 CCR8 (0.50) CCR8KCNH2MTNR1AMTNR1B
SCHEMBL6868975 0.87 CCR8 (0.51) CCR8KCNH2MTNR1AMTNR1BCYP2D6

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