SCHEMBL3926322

SCHEMBL3926322

CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@]1(C)NC(=O)CCC1=O)C(=O)Nc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 2/20 0.41
ELANE P08246 4/20 0.40
FKBP4 Q02790 1/20 0.37
LMNA P02545 1/20 0.35
TRPV1 Q8NER1 1/20 0.35
MMP2 P08253 1/20 0.34
MMP9 P14780 1/20 0.34
HPGD P15428 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
XIAP P98170 1/20 0.34
MLX Q9UH92 1/20 0.34
PRMT5 O14744 1/20 0.34
WDR77 Q9BQA1 1/20 0.34
TSHR P16473 1/20 0.34
MAPK1 P28482 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
SCHEMBL3314831 0.93 TACR1 (0.41) TACR1ELANEFKBP4LMNATRPV1
SCHEMBL1078320 0.89 TACR1 (0.42) TACR1FKBP4TRPV1MMP2HPGD
SCHEMBL3513112 0.87 FKBP4 (0.44) TACR1FKBP4TRPV1HPGDSMN1; SMN2
SCHEMBL1088249 0.87 TACR1 (0.41) TACR1FKBP4LMNATRPV1HPGD
SCHEMBL366333 0.87 TACR1 (0.51) TACR1FKBP4
SCHEMBL10401251 0.87 TACR1 (0.39) TACR1ELANEFKBP4LMNATRPV1
SCHEMBL4824283 0.86 PDF (0.43) TACR1FKBP4
SCHEMBL7235515 0.86 TACR1 (0.41) TACR1ELANEFKBP4LMNATRPV1
SCHEMBL4898024 0.86 TACR1 (0.42) TACR1FKBP4TRPV1MMP2HPGD
SCHEMBL368075 0.85 TACR1 (0.39) TACR1FKBP4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150073125-A1 RECOMBINANT PROBIOTIC BACTERIA FOR THE PREVENTION AND TREATMENT OF INFLAMMATORY BOWEL DISEASE (IBD) AND IRRITABLE BOWEL SYNDROME (IBS) UNIVERSITÉ PARIS CITÉ (FR) 2015-03-12 US disclosed
US-20120195859-A1 RECOMBINANT PROBIOTIC BACTERIA FOR THE PREVENTION AND TREATMENT OF INFLAMMATORY BOWEL DISEASE (IBD) AND IRRITABLE BOWEL SYNDROME (IBS) UNIVERSITE PARIS DIDEROT - PARIS 7 (FR) 2012-08-02 US disclosed
EP-1858509-A4 NOVEL CATHEPSIN C INHIBITORS AND THEIR USE GLAXO GROUP LTD (GB) 2009-03-18 EP disclosed
EP-1858509-A1 NOVEL CATHEPSIN C INHIBITORS AND THEIR USE GLAXO GROUP LIMITED (GB) 2007-11-28 EP disclosed
WO-2006094003-A1 NOVEL CATHEPSIN C INHIBITORS AND THEIR USE GLAXO GROUP LIMITED (GB) 2006-09-08 WO disclosed
EP-1613319-A2 SUBSTITUTED PHENYL ACETAMIDES AND THEIR USE AS PROTEASE INHIBITORS 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 2006-01-11 EP disclosed
WO-2004091613-A2 SUBSTITUTED PHENYL ACETAMIDES AND THEIR USE AS PROTEASE INHIBITORS 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 2004-10-28 WO disclosed