SCHEMBL5227811

SCHEMBL5227811

CCNC(=O)[C@H](O)[C@@H](N)Cc1ccccc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LAP3 P28838 5/20 0.70
ANPEP P15144 1/20 0.70
RNPEP Q9H4A4 1/20 0.70
DNPEP Q9ULA0 1/20 0.70
SLC15A1 P46059 1/20 0.51
LTA4H P09960 2/20 0.51
METAP2 P50579 1/20 0.47
METAP1 P53582 1/20 0.47
CSNK1E P49674 1/20 0.47
REN P00797 1/20 0.46
ALPI P09923 1/20 0.46
PKM P14618 1/20 0.46
PTGS1 P23219 1/20 0.46
XIAP P98170 1/20 0.46
SLC7A5 Q01650 1/20 0.46
CTSC P53634 1/20 0.45
MMP2 P08253 2/20 0.44
CTRB1 P17538 1/20 0.44
CYP3A4 P08684 1/20 0.44
TSHR P16473 1/20 0.44

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
SCHEMBL20474481 1.00 LAP3 (0.70) LAP3ANPEPRNPEPDNPEPSLC15A1
SCHEMBL8494993 1.00 LAP3 (0.70) LAP3ANPEPRNPEPDNPEPSLC15A1
Hydrochloric Acid SCHEMBL20474460 0.98 LAP3 (0.68) LAP3ANPEPRNPEPDNPEPSLC15A1
Hydrochloric Acid SCHEMBL3841335 0.98 LAP3 (0.68) LAP3ANPEPRNPEPDNPEPSLC15A1
SCHEMBL3135806 0.88 LAP3 (0.75) LAP3ANPEPRNPEPDNPEPSLC15A1
Hydrochloric Acid SCHEMBL4397404 0.87 LAP3 (0.73) LAP3ANPEPRNPEPDNPEPSLC15A1
SCHEMBL17097365 0.86 LAP3 (0.68) LAP3ANPEPRNPEPDNPEPSLC15A1
SCHEMBL7951029 0.86 LAP3 (0.68) LAP3ANPEPRNPEPDNPEPSLC15A1
SCHEMBL8498476 0.85 LAP3 (0.71) LAP3ANPEPRNPEPDNPEPCSNK1E
SCHEMBL27916353 0.85 LAP3 (0.71) LAP3ANPEPRNPEPDNPEPCSNK1E

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-0910564-B1 D-AMINO ACID DERIVED INHIBITORS OF CYSTEINE AND SERINE PROTEASES CEPHALON INC (US) 2007-10-31 EP disclosed
EP-0938477-A4 BENZOTHIAZO AND RELATED HETEROCYCLIC GROUP-CONTAINING CYSTEINE AND SERINE PROTEASE INHIBITORS CEPHALON INC (US) 1999-12-29 EP disclosed
US-5952328-A MAY BE USED TO ALLEVIATE, MEDIATE, REDUCE AND/OR PREVENT DISORDERS WHICH ARE ASSOCIATED WITH ABNORMAL AND/OR ABERRANT ACTIVITY OF CYSTEINE PROTEASES AND/OR SERINE PROTEASES CEPHALON, INC. (US) 1999-09-14 US disclosed
EP-0938477-A1 BENZOTHIAZO AND RELATED HETEROCYCLIC GROUP-CONTAINING CYSTEINE AND SERINE PROTEASE INHIBITORS CEPHALON, INC. (US) 1999-09-01 EP disclosed
US-5852007-A Cysteine and serine protease inhibitors containing D-amino acid at the P2 position, methods of making same, and methods of using same CEPHALON, INC. (US) 1998-12-22 US disclosed
WO-1998021186-A1 BENZOTHIAZO AND RELATED HETEROCYCLIC GROUP-CONTAINING CYSTEINE AND SERINE PROTEASE INHIBITORS CEPHALON, INC. (US) 1998-05-22 WO disclosed