SCHEMBL5501196

SCHEMBL5501196

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

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 1/20 0.44
FKBP4 Q02790 1/20 0.44
HDAC3 O15379 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC10 Q969S8 1/20 0.40
HDAC11 Q96DB2 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
PDF Q9HBH1 1/20 0.39
LMNA P02545 1/20 0.39
TRPV1 Q8NER1 1/20 0.38
MMP2 P08253 1/20 0.38
MMP9 P14780 1/20 0.38
OPRM1 P35372 1/20 0.38
DPP4 P27487 1/20 0.38
DPP8 Q6V1X1 1/20 0.38
DPP9 Q86TI2 1/20 0.38
DPP7 Q9UHL4 1/20 0.38

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
SCHEMBL5501048 0.88 TACR1 (0.47) TACR1FKBP4LMNATRPV1MMP2
SCHEMBL3667052 0.86 FKBP4 (0.58) TACR1FKBP4OPRM1
SCHEMBL1087636 0.85 TACR1 (0.42) TACR1FKBP4HDAC3HDAC1HDAC2
SCHEMBL8010107 0.85 FKBP4 (0.46) TACR1FKBP4LMNATRPV1MMP2
SCHEMBL3396899 0.83 ELANE (0.48) TACR1FKBP4LMNATRPV1MMP2
SCHEMBL6417819 0.83 LMNA (0.46) TACR1LMNATRPV1MMP2MMP9
SCHEMBL1257864 0.83 LMNA (0.53) TACR1LMNATRPV1MMP2MMP9
SCHEMBL1088249 0.82 TACR1 (0.41) TACR1FKBP4HDAC3HDAC1HDAC2
SCHEMBL7076149 0.82 FKBP4 (0.56) TACR1FKBP4OPRM1
SCHEMBL3277774 0.81 FKBP4 (0.57) TACR1FKBP4OPRM1

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-1620553-A4 INSECT CHYMOTRYPSIN AND INHIBITORS THEREOF HEXIMA LTD (AU) 2007-01-03 EP disclosed
EP-1620553-A1 INSECT CHYMOTRYPSIN AND INHIBITORS THEREOF Hexima Ltd. (AU) 2006-02-01 EP disclosed
WO-2004094630-A1 INSECT CHYMOTRYPSIN AND INHIBITORS THEREOF HEXIMA LTD (AU) 2004-11-04 WO disclosed
US-6127144-A PRODUCING HETEROLOGOUS PROTEINS BY INCUBATING STREPTOMYCES CELL TRANSFORMED WITH NUCLEIC ACID EXPRESSION CONSTRUCT IN PRESENCE OF PEPTIDE-SUSBSTITUTED CHLOROMETHYLKETONE AMINOPEPTIDASE INHIBITOR HAVING DEFINED STRUCTURE CANGENE CORPORATION (CA) 2000-10-03 US disclosed
EP-0731841-A1 PROTEASES FROM STREPTOMYCES AND USE THEREOF IN PROTEIN EXPRESSION SYSTEMS Cangene Corporation (CA) 1996-09-18 EP disclosed
WO-1995017512-A2 PROTEASES FROM STREPTOMYCES AND USE THEREOF IN PROTEIN EXPRESSION SYSTEMS CANGENE CORPORATION (CA) 1995-06-29 WO disclosed