SCHEMBL6986377

SCHEMBL6986377

COc1ccc2nccc(C(O)C[C@@H]3CC(=O)CCN3)c2c1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 5/20 0.43
KDM4E B2RXH2 5/20 0.42
CYP2D6 P10635 4/20 0.42
ALDH1A1 P00352 4/20 0.42
HSD17B10 Q99714 4/20 0.42
HPGD P15428 3/20 0.42
KCNH2 Q12809 3/20 0.42
MEN1 O00255 2/20 0.42
CYP3A4 P08684 2/20 0.42
KMT2A Q03164 2/20 0.42
NCF1 P14598 1/20 0.42
TSHR P16473 1/20 0.42
CHRM2 P08172 1/20 0.42
ADRA2A P08913 1/20 0.42
SLC6A4 P31645 1/20 0.42
OPRM1 P35372 1/20 0.42
SLC6A3 Q01959 1/20 0.42
LMNA P02545 1/20 0.41
THRB P10828 1/20 0.40

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
SCHEMBL6987295 0.80 CYP2D6 (0.46) SLC2A1KDM4ECYP2D6ALDH1A1HSD17B10
SCHEMBL6971434 0.77 NCF1 (0.49) SLC2A1KDM4ECYP2D6ALDH1A1HSD17B10
SCHEMBL6971430 0.77 NCF1 (0.49) SLC2A1KDM4ECYP2D6ALDH1A1HSD17B10
SCHEMBL6971431 0.77 NCF1 (0.49) SLC2A1KDM4ECYP2D6ALDH1A1HSD17B10
SCHEMBL4273361 0.74 SLC2A1 (0.59) SLC2A1KDM4ECYP2D6ALDH1A1HSD17B10
SCHEMBL4273370 0.74 SLC2A1 (0.59) SLC2A1KDM4ECYP2D6ALDH1A1HSD17B10
SCHEMBL4273379 0.74 SLC2A1 (0.59) SLC2A1KDM4ECYP2D6ALDH1A1HSD17B10
SCHEMBL7499192 0.73 SLC2A1 (0.48) SLC2A1KDM4ECYP2D6ALDH1A1HSD17B10
SCHEMBL7502188 0.73 SLC2A1 (0.48) SLC2A1KDM4ECYP2D6ALDH1A1HSD17B10
SCHEMBL6987928 0.73 SLC2A1 (0.45) SLC2A1KDM4ECYP2D6ALDH1A1HSD17B10

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 disclosed
EP-1214314-A2 AMINOPIPERIDINE DERIVATIVES AS ANTIBACTERIALS SMITHKLINE BEECHAM PLC (GB) 2002-06-19 EP disclosed
WO-2002024684-A1 QUINOLINE DERIVATIVES AS ANTIBACTERIALS SMITHKLINE BEECHAM P.L.C. (GB) 2002-03-28 WO disclosed
WO-2001007432-A2 AMINOPIPERIDINE DERIVATIVES AS ANTIBACTERIALS SMITHKLINE BEECHAM P.L.C. (GB) 2001-02-01 WO disclosed