SCHEMBL6830232

SCHEMBL6830232

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 2/20 0.42
RNPEP Q9H4A4 2/20 0.42
DNPEP Q9ULA0 2/20 0.42
REN P00797 4/20 0.39
LTA4H P09960 1/20 0.38
AKT1 P31749 1/20 0.36
SLC7A5 Q01650 1/20 0.36
PSEN1 P49768 3/20 0.35
PSEN2 P49810 3/20 0.35
APH1B Q8WW43 3/20 0.35
NCSTN Q92542 3/20 0.35
APH1A Q96BI3 3/20 0.35
PSENEN Q9NZ42 3/20 0.35
APP P05067 1/20 0.35
GPR88 Q9GZN0 1/20 0.35
AAK1 Q2M2I8 1/20 0.34
POLB P06746 1/20 0.34
MAPT P10636 1/20 0.34
ATM Q13315 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34

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
SCHEMBL3489862 0.87 ANPEP (0.47) ANPEPRNPEPDNPEPRENLTA4H
SCHEMBL6825539 0.87 ANPEP (0.43) ANPEPRNPEPDNPEPLTA4HGPR88
SCHEMBL7269530 0.81 SLC7A5 (0.45) ANPEPRNPEPDNPEPRENLTA4H
SCHEMBL7383639 0.81 ANPEP (0.40) ANPEPRNPEPDNPEPLTA4H
SCHEMBL11047397 0.78 SLC7A5 (0.48) LTA4HSLC7A5ATM
SCHEMBL8527572 0.76 CTSB (0.42) REN
SCHEMBL7269855 0.75 SLC7A5 (0.41) ANPEPRNPEPDNPEPRENLTA4H
SCHEMBL27809385 0.73 ANPEP (0.48) ANPEPRNPEPDNPEPLTA4HSLC7A5
SCHEMBL7421460 0.72 ALDH1A1 (0.47) RENPSEN1PSEN2APH1BNCSTN
SCHEMBL28980532 0.72 ITGA4 (0.41) ANPEPRENLTA4HSLC7A5APP

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