SCHEMBL7347389

SCHEMBL7347389

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

nearest known ligand 0.69

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 1/20 0.69
RNPEP Q9H4A4 1/20 0.69
DNPEP Q9ULA0 1/20 0.69
LTA4H P09960 2/20 0.62
ALPI P09923 1/20 0.56
PKM P14618 1/20 0.56
PTGS1 P23219 1/20 0.56
XIAP P98170 1/20 0.56
SLC7A5 Q01650 1/20 0.56
SLC15A1 P46059 1/20 0.49
CAPN1 P07384 2/20 0.48
CTSC P53634 2/20 0.46
MMP2 P08253 2/20 0.46
MTNR1A P48039 1/20 0.45
MTNR1B P49286 1/20 0.45
SLC1A3 P43003 1/20 0.45
SLC1A2 P43004 1/20 0.45
SLC1A1 P43005 1/20 0.45
HDAC8 Q9BY41 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
SCHEMBL8494890 1.00 ANPEP (0.69) ANPEPRNPEPDNPEPLTA4HALPI
SCHEMBL17097364 0.85 ANPEP (0.67) ANPEPRNPEPDNPEPLTA4HALPI
Hydrochloric Acid SCHEMBL8499251 0.84 ANPEP (0.69) ANPEPRNPEPDNPEPLTA4HALPI
Hydrochloric Acid SCHEMBL8499249 0.84 ANPEP (0.69) ANPEPRNPEPDNPEPLTA4HALPI
SCHEMBL6653906 0.83 ALPI (0.59) ANPEPRNPEPDNPEPLTA4HALPI
SCHEMBL988104 0.83 ALPI (0.59) ANPEPRNPEPDNPEPLTA4HALPI
SCHEMBL8241367 0.83 ANPEP (0.50) ANPEPRNPEPDNPEPLTA4HPKM
Hydrochloric Acid SCHEMBL7762751 0.82 ALPI (0.58) ANPEPRNPEPDNPEPLTA4HALPI
SCHEMBL12609437 0.82 ANPEP (1.00) ANPEPRNPEPDNPEPLTA4HALPI
SCHEMBL660504 0.80 SLC7A5 (0.76) ANPEPRNPEPDNPEPLTA4HALPI

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
WO-1998021186-A1 BENZOTHIAZO AND RELATED HETEROCYCLIC GROUP-CONTAINING CYSTEINE AND SERINE PROTEASE INHIBITORS CEPHALON, INC. (US) 1998-05-22 WO disclosed