SCHEMBL7935848

SCHEMBL7935848

COC(=O)C[C@H](N)N1CCCCC1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DPP7 Q9UHL4 1/20 0.49
MAPT P10636 3/20 0.38
MAPK1 P28482 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
ALDH1A1 P00352 4/20 0.37
MEN1 O00255 1/20 0.37
LMNA P02545 1/20 0.37
KMT2A Q03164 1/20 0.37
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
SLC6A3 Q01959 1/20 0.34
TSHR P16473 1/20 0.33
POLB P06746 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
FDPS P14324 2/20 0.31

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
SCHEMBL9774519 0.79 ALDH1A1 (0.46) MAPTMAPK1NPSR1L3MBTL1ALDH1A1
SCHEMBL9774580 0.79 ALDH1A1 (0.46) MAPTMAPK1NPSR1L3MBTL1ALDH1A1
SCHEMBL9774544 0.77 MAPT (0.47) MAPTMAPK1NPSR1L3MBTL1ALDH1A1
SCHEMBL9621843 0.76 SLC6A4 (0.44) DPP7MAPTMAPK1NPSR1L3MBTL1
SCHEMBL2968888 0.76 L3MBTL1 (0.54) MAPTMAPK1NPSR1L3MBTL1ALDH1A1
SCHEMBL4637130 0.76 DPP7 (0.60) DPP7MAPK1L3MBTL1ALDH1A1LMNA
SCHEMBL4637394 0.76 DPP7 (0.55) DPP7MAPTMAPK1NPSR1L3MBTL1
SCHEMBL500098 0.75 ALDH1A1 (0.39) DPP7MAPTMAPK1NPSR1L3MBTL1
Hydrochloric Acid SCHEMBL28178646 0.75 SLC6A4 (0.43) MAPTMAPK1NPSR1L3MBTL1ALDH1A1
SCHEMBL9621706 0.74 SLC6A3 (0.46) MAPTMAPK1NPSR1L3MBTL1ALDH1A1

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
US-6306909-B1 AMINOACID DERIVATIVES AND ESTERS QUEEN'S UNIVERSITY AT KINGSTON (CA) 2001-10-23 US disclosed