SCHEMBL7318484

SCHEMBL7318484

CC(C)CCC(N)(C(=O)NC(C)(C)C)[C@H](O)[C@H](N)Cc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LAP3 P28838 4/20 0.49
ANPEP P15144 3/20 0.49
RNPEP Q9H4A4 2/20 0.49
DNPEP Q9ULA0 2/20 0.49
SLC15A1 P46059 1/20 0.38
MMP2 P08253 2/20 0.37
MMP3 P08254 1/20 0.37
CSNK1E P49674 1/20 0.37
LTA4H P09960 2/20 0.37
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
MAPT P10636 1/20 0.36
CTRB1 P17538 1/20 0.36
LMNA P02545 1/20 0.36
PKM P14618 1/20 0.36

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
SCHEMBL8729343 0.88 LAP3 (0.45) LAP3ANPEPRNPEPDNPEPSLC15A1
SCHEMBL7328902 0.84 LAP3 (0.49) LAP3ANPEPRNPEPDNPEPSLC15A1
SCHEMBL8882496 0.80 PSEN1 (0.38) LAP3ANPEPRNPEPDNPEPMMP2
SCHEMBL9064384 0.75 LAP3 (0.55) LAP3ANPEPRNPEPDNPEPSLC15A1
SCHEMBL7360777 0.74 HTT (0.44)
SCHEMBL6225204 0.74 LAP3 (0.48) LAP3ANPEPRNPEPDNPEPSLC15A1
SCHEMBL5872214 0.74 LAP3 (0.48) LAP3ANPEPRNPEPDNPEPSLC15A1
SCHEMBL5404893 0.73 LAP3 (0.47) LAP3ANPEPRNPEPDNPEPSLC15A1
SCHEMBL8159887 0.73 LAP3 (0.47) LAP3ANPEPRNPEPDNPEPSLC15A1
SCHEMBL21012314 0.73 LAP3 (0.62) LAP3ANPEPRNPEPDNPEPSLC15A1

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-0558673-A1 RETROVIRAL PROTEASE INHIBITORS. MONSANTO CO (US) 1993-09-08 EP disclosed
WO-1992008699-A1 RETROVIRAL PROTEASE INHIBITORS MONSANTO COMPANY (US) 1992-05-29 WO disclosed