SCHEMBL7569479

SCHEMBL7569479

CCCCCCCN[C@@H]1CCN[C@H](C[C@H](O)c2ccnc3ccc(OC)cc23)[C@@H]1C(N)=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 8/20 0.47
HTR1A P08908 1/20 0.38
ADRA1D P25100 1/20 0.38
ADRA1A P35348 1/20 0.38
ADRA1B P35368 1/20 0.38
KCNH2 Q12809 3/20 0.38
CYP2D6 P10635 4/20 0.38
KDM4E B2RXH2 4/20 0.38
ALDH1A1 P00352 3/20 0.38
HPGD P15428 3/20 0.38
HSD17B10 Q99714 3/20 0.38
MTNR1A P48039 1/20 0.38
MTNR1B P49286 1/20 0.38
TSHR P16473 1/20 0.38
MEN1 O00255 1/20 0.38
CYP3A4 P08684 1/20 0.38
KMT2A Q03164 1/20 0.38
CHRM2 P08172 1/20 0.38
ADRA2A P08913 1/20 0.38
SLC6A4 P31645 1/20 0.38

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
SCHEMBL7508875 0.88 SLC2A1 (0.45) SLC2A1KCNH2CYP2D6KDM4EALDH1A1
SCHEMBL7507569 0.81 SLC2A1 (0.46) SLC2A1KCNH2
SCHEMBL7499192 0.80 SLC2A1 (0.48) SLC2A1HTR1AADRA1DADRA1AADRA1B
SCHEMBL7502188 0.80 SLC2A1 (0.48) SLC2A1HTR1AADRA1DADRA1AADRA1B
Oxalic Acid SCHEMBL5927643 0.73 SLC2A1 (0.69) SLC2A1KCNH2
SCHEMBL6215574 0.73 SLC2A1 (0.69) SLC2A1HTR1AADRA1DADRA1AADRA1B
SCHEMBL5927396 0.73 SLC2A1 (0.69) SLC2A1HTR1AADRA1DADRA1AADRA1B
SCHEMBL5927662 0.73 SLC2A1 (0.69) SLC2A1HTR1AADRA1DADRA1AADRA1B
SCHEMBL7549582 0.73 SLC2A1 (0.58) SLC2A1KCNH2CYP2D6KDM4EALDH1A1
SCHEMBL7547104 0.72 SLC2A1 (0.52) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

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