SCHEMBL6825539

SCHEMBL6825539

CC(C)C[C@H](N)C(=O)N(C(=O)OCc1ccccc1)[C@@H](Cc1ccccc1)C(=O)C(=O)CBr

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 1/20 0.43
RNPEP Q9H4A4 1/20 0.43
DNPEP Q9ULA0 1/20 0.43
CAPN1 P07384 2/20 0.40
SLC15A1 P46059 2/20 0.39
LTA4H P09960 1/20 0.39
CTSB P07858 3/20 0.38
ABCB1 P08183 1/20 0.36
CTSK P43235 4/20 0.36
CTSL P07711 2/20 0.36
CTSS P25774 2/20 0.36
GPR88 Q9GZN0 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
SCHEMBL7383639 0.94 ANPEP (0.40) ANPEPRNPEPDNPEPCAPN1SLC15A1
SCHEMBL27809385 0.87 ANPEP (0.48) ANPEPRNPEPDNPEPCAPN1SLC15A1
SCHEMBL6830232 0.87 ANPEP (0.42) ANPEPRNPEPDNPEPLTA4HGPR88
SCHEMBL10443784 0.81 SLC15A1 (0.46) ANPEPRNPEPDNPEPCAPN1SLC15A1
SCHEMBL28118929 0.80 ANPEP (0.42) ANPEPRNPEPDNPEPCAPN1SLC15A1
SCHEMBL8586811 0.79 CTSB (0.47) ANPEPRNPEPDNPEPSLC15A1LTA4H
SCHEMBL3660974 0.79 ANPEP (0.44) ANPEPRNPEPDNPEPSLC15A1LTA4H
SCHEMBL27715040 0.78 ANPEP (0.40) ANPEPRNPEPDNPEPCAPN1SLC15A1
SCHEMBL2478309 0.78 ANPEP (0.40) ANPEPRNPEPDNPEPCAPN1SLC15A1
SCHEMBL7420644 0.77 ANPEP (0.43) ANPEPRNPEPDNPEPCAPN1SLC15A1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1389624-A1 Phosphorous-containing cysteine and serine protease inhibitors CEPHALON, INC. (US) 2004-02-18 EP disclosed
EP-0871454-B1 PHOSPHOROUS-CONTAINING CYSTEINE AND SERINE PROTEASE INHIBITORS CEPHALON INC (US) 2003-11-12 EP disclosed
EP-0871454-A4 1998-11-25 EP disclosed
EP-0871454-A1 PHOSPHOROUS-CONTAINING CYSTEINE AND SERINE PROTEASE INHIBITORS CEPHALON, INC. (US) 1998-10-21 EP disclosed
US-5639732-A FOR TREATING NERVOUS SYSTEM DISORDERS OR AS ANTIINFLAMMATORY AGENT CEPHALON, INC. (US) 1997-06-17 US disclosed
WO-1997003679-A1 PHOSPHOROUS-CONTAINING CYSTEINE AND SERINE PROTEASE INHIBITORS CEPHALON, INC. (US) 1997-02-06 WO disclosed