SCHEMBL5805296

SCHEMBL5805296

NC(Cc1ccccc1)C(O)CNC1CC1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 1/20 0.48
CSNK1E P49674 1/20 0.47
F2 P00734 1/20 0.46
ANPEP P15144 2/20 0.45
ERAP2 Q6P179 2/20 0.45
BACE1 P56817 9/20 0.45
EPHX1 P07099 1/20 0.44
CTSD P07339 1/20 0.43
BACE2 Q9Y5Z0 1/20 0.43
HRH1 P35367 1/20 0.41
HRH4 Q9H3N8 1/20 0.41
KDM4E B2RXH2 1/20 0.41

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
SCHEMBL4047960 1.00 GRIN2B (0.48) GRIN2BCSNK1EF2ANPEPERAP2
SCHEMBL14253003 1.00 GRIN2B (0.48) GRIN2BCSNK1EF2ANPEPERAP2
Hydrochloric Acid SCHEMBL6111346 0.98 GRIN2B (0.47) GRIN2BCSNK1EF2ANPEPERAP2
SCHEMBL4692517 0.94 ANPEP (0.49) GRIN2BCSNK1EF2ANPEPERAP2
SCHEMBL5930121 0.94 ANPEP (0.52) GRIN2BCSNK1EF2ANPEPERAP2
SCHEMBL4691199 0.93 CSNK1E (0.45) GRIN2BCSNK1EF2ANPEPERAP2
Hydrochloric Acid SCHEMBL5216767 0.93 ANPEP (0.48) GRIN2BCSNK1EF2ANPEPERAP2
SCHEMBL4693744 0.93 ANPEP (0.54) GRIN2BCSNK1EF2ANPEPERAP2
SCHEMBL4695118 0.93 ANPEP (0.54) GRIN2BCSNK1EF2ANPEPERAP2
SCHEMBL4047072 0.93 ANPEP (0.54) GRIN2BCSNK1EF2ANPEPERAP2

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-2006103088-A1 NOVEL HYDROXYETHYLAMINE AND KETONE COMPOUNDS HAVING ASP2 INHIBITORY ACTIVITY GLAXO GROUP LIMITED (GB) 2006-10-05 WO disclosed