SCHEMBL6979457

SCHEMBL6979457

COc1ccc2nccc(C(O)C[C@H]3CC(NCCNc4cc(F)cc(F)c4)CCN3)c2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 6/20 0.45
KCNH2 Q12809 6/20 0.45
CYP2D6 P10635 6/20 0.42
ALDH1A1 P00352 5/20 0.42
HSD17B10 Q99714 5/20 0.42
KDM4E B2RXH2 4/20 0.42
HPGD P15428 3/20 0.42
CYP3A4 P08684 3/20 0.42
ADRA2A P08913 3/20 0.42
SLC6A4 P31645 3/20 0.42
OPRM1 P35372 3/20 0.42
TSHR P16473 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
SLC6A3 Q01959 2/20 0.42
CHRM2 P08172 1/20 0.42
SLC22A1 O15245 2/20 0.41
ABCB11 O95342 2/20 0.41
ABCB1 P08183 2/20 0.41
SCN1A P35498 2/20 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
SCHEMBL6979541 0.93 KCNH2 (0.45) SLC2A1KCNH2CYP2D6ALDH1A1HSD17B10
SCHEMBL7499192 0.85 SLC2A1 (0.48) SLC2A1KCNH2CYP2D6ALDH1A1HSD17B10
SCHEMBL7502188 0.85 SLC2A1 (0.48) SLC2A1KCNH2CYP2D6ALDH1A1HSD17B10
SCHEMBL6987928 0.84 SLC2A1 (0.45) SLC2A1KCNH2CYP2D6ALDH1A1HSD17B10
SCHEMBL5725088 0.81 KCNH2 (0.63) SLC2A1KCNH2CYP2D6ALDH1A1HSD17B10
SCHEMBL6981059 0.81 SLC2A1 (0.42) SLC2A1KCNH2CYP2D6ALDH1A1HSD17B10
SCHEMBL6987295 0.79 CYP2D6 (0.46) SLC2A1KCNH2CYP2D6ALDH1A1HSD17B10
SCHEMBL5774506 0.77 KCNH2 (0.49) SLC2A1KCNH2
SCHEMBL7510786 0.75 SLC2A1 (0.47) SLC2A1KCNH2CYP2D6ALDH1A1HSD17B10
SCHEMBL7501217 0.75 SLC2A1 (0.47) SLC2A1KCNH2CYP2D6ALDH1A1HSD17B10

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1320529-A1 QUINOLINE DERIVATIVES AS ANTIBACTERIALS SMITHKLINE BEECHAM PLC (GB) 2003-06-25 EP claimed
WO-2002024684-A1 QUINOLINE DERIVATIVES AS ANTIBACTERIALS SMITHKLINE BEECHAM P.L.C. (GB) 2002-03-28 WO claimed
EP-1320529-A1 QUINOLINE DERIVATIVES AS ANTIBACTERIALS SMITHKLINE BEECHAM PLC (GB) 2003-06-25 EP disclosed
WO-2002024684-A1 QUINOLINE DERIVATIVES AS ANTIBACTERIALS SMITHKLINE BEECHAM P.L.C. (GB) 2002-03-28 WO disclosed