SCHEMBL28784253

SCHEMBL28784253

N#CCN(Cc1ccccc1)C1CCCCC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
G6PC1 P35575 1/20 0.45
SLC6A2 P23975 1/20 0.42
SLC6A4 P31645 1/20 0.42
AGER Q15109 3/20 0.42
ALDH1A1 P00352 2/20 0.42
MTNR1A P48039 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
HSD17B10 Q99714 2/20 0.41
USP2 O75604 1/20 0.41
HPGD P15428 1/20 0.41
YTHDC1 Q96MU7 1/20 0.40
CYP2D6 P10635 2/20 0.40
CYP2C9 P11712 2/20 0.40
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.39
OPRM1 P35372 1/20 0.39
OPRD1 P41143 1/20 0.39
OPRK1 P41145 1/20 0.39
HRH4 Q9H3N8 1/20 0.39

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
SCHEMBL28410816 0.84 G6PC1 (0.54) G6PC1SLC6A2SLC6A4AGERALDH1A1
SCHEMBL515999 0.84 G6PC1 (0.54) G6PC1SLC6A2SLC6A4AGERALDH1A1
SCHEMBL7885548 0.84 G6PC1 (0.54) G6PC1SLC6A2SLC6A4AGERALDH1A1
SCHEMBL28059587 0.84 LMNA (0.49) G6PC1SLC6A2SLC6A4AGERALDH1A1
SCHEMBL3373138 0.82 SLC6A2 (0.51) G6PC1SLC6A2SLC6A4AGERALDH1A1
SCHEMBL13017781 0.80 SLC6A2 (0.53) G6PC1SLC6A2SLC6A4AGERALDH1A1
SCHEMBL11966311 0.79 SLC18A3 (0.58) G6PC1ALDH1A1MEN1KMT2ALTA4H
SCHEMBL11895258 0.79 SLC18A3 (0.58) G6PC1ALDH1A1MEN1KMT2ALTA4H
SCHEMBL9455273 0.78 GRIN2B (0.58) G6PC1SLC6A2SLC6A4AGERALDH1A1
SCHEMBL10708848 0.78 G6PC1 (0.49) G6PC1SLC6A2SLC6A4AGERALDH1A1

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
CN-101759598-B Tetracycline compounds with aminoalkylamidines SHANDONG XUANZHU MEDICAL TECHNOLOGY CO LTD 2011-11-09 CN disclosed
CN-101759598-A Tetracycline compounds with aminoalkylamidines SHANDONG XUANZHU PHARM TECH CO 2010-06-30 CN disclosed