SCHEMBL5704652

SCHEMBL5704652

N=C(N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)c1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FKBP4 Q02790 1/20 0.48
TACR1 P25103 1/20 0.47
OPRM1 P35372 8/20 0.46
OPRK1 P41145 6/20 0.46
SSTR3 P32745 1/20 0.46
MMP3 P08254 5/20 0.46
MMP2 P08253 1/20 0.46
MMP1 P03956 2/20 0.43
NPFFR1 Q9GZQ6 2/20 0.43
NPFFR2 Q9Y5X5 2/20 0.43
OPRD1 P41143 1/20 0.43

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
Hydrochloric Acid SCHEMBL7752557 0.99 FKBP4 (0.48) FKBP4TACR1OPRM1OPRK1SSTR3
Acetic Acid SCHEMBL3281925 0.98 FKBP4 (0.48) FKBP4TACR1OPRM1OPRK1SSTR3
SCHEMBL27635235 0.89 OPRM1 (0.46) FKBP4TACR1OPRM1OPRK1OPRD1
4-Nitroaniline SCHEMBL27635238 0.89 OPRM1 (0.46) OPRM1OPRK1OPRD1
SCHEMBL7586649 0.88 OPRM1 (0.47) FKBP4TACR1OPRM1OPRK1NPFFR1
SCHEMBL30561151 0.88 OPRM1 (0.47) FKBP4TACR1OPRM1OPRK1NPFFR1
SCHEMBL11600367 0.86 F2 (0.51) OPRM1OPRK1OPRD1
SCHEMBL8529458 0.86 F2 (0.51) OPRM1OPRK1OPRD1
SCHEMBL29442961 0.86 OPRM1 (0.45) FKBP4TACR1OPRM1OPRK1NPFFR1
Hydrochloric Acid SCHEMBL29793967 0.86 OPRM1 (0.45) FKBP4TACR1OPRM1OPRK1NPFFR1

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6630139-B2 Expression and purification of recombinant proteins from snake venom ACADEMIA SINICA (TW) 2003-10-07 US claimed
US-20030039644-A1 Fibrinogenolytic proteases with thrombolytic and antihypertensive activities: medical application and novel process of expression and production ACADEMIA SINICA 2003-02-27 US claimed
EP-1196579-B1 TRYPTASE INHIBITOR EVOLUTEC LTD (GB) 2006-09-13 EP disclosed
US-6987168-B1 Tryptase inhibitor proteins derived from blood-feeding anthropod ectoparasites EVOLUTEC LIMITED (GB) 2006-01-17 US disclosed
US-20040266995-A1 Fibrinogenolytic proteases with thrombolytic and antihypertensive activities from Taiwan habu: medical application and novel process of expression and production ACADEMIA SINICA 2004-12-30 US disclosed
US-6630139-B2 Expression and purification of recombinant proteins from snake venom ACADEMIA SINICA (TW) 2003-10-07 US disclosed
US-20030114372-A1 Protease inhibitor peptides WHITE R TYLER (US) 2003-06-19 US disclosed
US-20030039644-A1 Fibrinogenolytic proteases with thrombolytic and antihypertensive activities: medical application and novel process of expression and production ACADEMIA SINICA 2003-02-27 US disclosed
US-20030017546-A1 PROTEASE INHIBITOR PEPTIDES SCIOS, INC. 2003-01-23 US disclosed
EP-1196579-A2 TRYPTASE INHIBITOR Evolutec Ltd. (GB) 2002-04-17 EP disclosed
US-20010020003-A1 PROTEASE INHIBITOR PEPTIDES WHITE R TYLER (US) 2001-09-06 US disclosed
WO-2001005823-A2 TRYPTASE INHIBITOR EVOLUTEC LTD. (GB) 2001-01-25 WO disclosed
EP-1067961-A2 LEISHMANIA CYSTEINE PROTEINASES THE UNIVERSITY COURT OF THE UNIVERSITY OF GLASGOW (GB) 2001-01-17 EP disclosed
WO-1999063090-A2 PROTEASE INHIBITOR PEPTIDES SCIOS, INC. (US) 1999-12-09 WO disclosed
US-5968782-A NUCLEIC ACID SEQUENCE CODING POLYPEPTIDE ENZYME WITH ENTEROKINASE SENSITIVITY WHICH CAN BE USED FOR TREATING DISORDERS MEDIATED BY THROMBUS CLOT FORMATION BRIGHAM AND WOMENS'S HOSPITAL, INC. (US) 1999-10-19 US disclosed
WO-1999051264-A2 LEISHMANIA CYSTEINE PROTEINASES THE UNIVERSITY COURT OF THE UNIVERSITY OF GLASGOW (GB) 1999-10-14 WO disclosed
US-5962266-A DNA WHICH CODES FOR KALLIKREIN INHIBITOR; FOR REDUCING PULMONARY DAMAGE OR BLOOD LOSS DURING CARDIOPULMONARY BYPASS SURGERY SCIOS, INC. (US) 1999-10-05 US disclosed
US-5955431-A POLYPEPTIDES AS ANTIINFLAMMATORY AGENTS BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 1999-09-21 US disclosed
WO-1998033812-A1 MAST CELL PROTEASE PEPTIDE INHIBITORS BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 1998-08-06 WO disclosed
WO-1998024886-A1 MAST CELL PROTEASE THAT CLEAVES FIBRINOGEN BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 1998-06-11 WO disclosed