SCHEMBL6820609

SCHEMBL6820609

COc1ccc2nccc(C(O)CNC3CCN(C(=O)O)CC3)c2c1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 8/20 0.56
KCNH2 Q12809 4/20 0.55
CYP2D6 P10635 3/20 0.47
KDM4E B2RXH2 2/20 0.47
ALDH1A1 P00352 2/20 0.47
HPGD P15428 2/20 0.47
HSD17B10 Q99714 2/20 0.47
TSHR P16473 1/20 0.47
MEN1 O00255 1/20 0.47
CYP3A4 P08684 1/20 0.47
KMT2A Q03164 1/20 0.47
CHRM2 P08172 1/20 0.47
ADRA2A P08913 1/20 0.47
SLC6A4 P31645 1/20 0.47
OPRM1 P35372 1/20 0.47
SLC6A3 Q01959 1/20 0.47

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
SCHEMBL6820330 0.88 SLC2A1 (0.52) SLC2A1KCNH2CYP2D6ALDH1A1TSHR
SCHEMBL31191746 0.88 SLC2A1 (0.52) SLC2A1KCNH2CYP2D6ALDH1A1TSHR
SCHEMBL5853742 0.82 SLC2A1 (0.58) SLC2A1KCNH2CYP2D6KDM4EALDH1A1
SCHEMBL5852476 0.82 SLC2A1 (0.58) SLC2A1KCNH2CYP2D6KDM4EALDH1A1
SCHEMBL5739124 0.77 SLC2A1 (0.62) SLC2A1KCNH2
Oxalic Acid SCHEMBL5927643 0.77 SLC2A1 (0.69) SLC2A1KCNH2
SCHEMBL5739137 0.77 SLC2A1 (0.62) SLC2A1KCNH2
SCHEMBL5739145 0.77 SLC2A1 (0.62) SLC2A1KCNH2
SCHEMBL3253648 0.76 SLC2A1 (0.65) SLC2A1KCNH2
SCHEMBL3253390 0.76 SLC2A1 (0.65) SLC2A1KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2004032856-A2 COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2004-04-22 WO disclosed