SCHEMBL6970277

SCHEMBL6970277

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR8 P51685 1/20 0.48
KCNH2 Q12809 5/20 0.45
MTNR1A P48039 1/20 0.43
MTNR1B P49286 1/20 0.43
SLC2A1 P11166 1/20 0.42
ROCK2 O75116 1/20 0.42
CYP2D6 P10635 4/20 0.41
KDM4E B2RXH2 3/20 0.41
ALDH1A1 P00352 3/20 0.41
HPGD P15428 3/20 0.41
HSD17B10 Q99714 3/20 0.41
TSHR P16473 1/20 0.41
MEN1 O00255 1/20 0.41
CYP3A4 P08684 1/20 0.41
KMT2A Q03164 1/20 0.41
CHRM2 P08172 1/20 0.41
ADRA2A P08913 1/20 0.41
SLC6A4 P31645 1/20 0.41
OPRM1 P35372 1/20 0.41
SLC6A3 Q01959 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
SCHEMBL6970273 1.00 CCR8 (0.48) CCR8KCNH2MTNR1AMTNR1BSLC2A1
SCHEMBL6868975 0.90 CCR8 (0.51) CCR8KCNH2MTNR1AMTNR1BSLC2A1
SCHEMBL6971729 0.90 CCR8 (0.52) CCR8KCNH2MTNR1AMTNR1BSLC2A1
SCHEMBL6963986 0.90 CCR8 (0.49) CCR8KCNH2MTNR1AMTNR1BSLC2A1
SCHEMBL8132268 0.90 CCR8 (0.49) CCR8KCNH2MTNR1AMTNR1BSLC2A1
SCHEMBL6868973 0.90 CCR8 (0.49) CCR8KCNH2MTNR1AMTNR1BSLC2A1
SCHEMBL6964570 0.90 CCR8 (0.50) CCR8KCNH2MTNR1AMTNR1BSLC2A1
SCHEMBL6965118 0.90 CCR8 (0.50) CCR8KCNH2MTNR1AMTNR1BSLC2A1
SCHEMBL6964191 0.87 CCR8 (0.48) CCR8KCNH2MTNR1AMTNR1BSLC2A1
SCHEMBL8127943 0.87 CCR8 (0.48) CCR8KCNH2MTNR1AMTNR1BSLC2A1

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