SCHEMBL5501048

SCHEMBL5501048

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

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 1/20 0.47
FKBP4 Q02790 1/20 0.46
MMP3 P08254 8/20 0.44
MMP1 P03956 3/20 0.44
KMT2A Q03164 1/20 0.42
TRPV1 Q8NER1 1/20 0.42
PSMB9 P28065 1/20 0.41
MMP2 P08253 2/20 0.41
LMNA P02545 1/20 0.41
CAPN1 P07384 2/20 0.40

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
Dimethyl Sulfoxide SCHEMBL15323267 0.91 TACR1 (0.43) TACR1FKBP4MMP3MMP1KMT2A
SCHEMBL3667052 0.89 FKBP4 (0.58) TACR1FKBP4KMT2A
SCHEMBL5501196 0.88 TACR1 (0.44) TACR1FKBP4TRPV1MMP2LMNA
SCHEMBL8010107 0.88 FKBP4 (0.46) TACR1FKBP4KMT2ATRPV1MMP2
SCHEMBL7746384 0.87 KMT2A (0.58) TACR1FKBP4KMT2APSMB9
SCHEMBL28348611 0.86 FKBP4 (0.47) TACR1FKBP4MMP3MMP1KMT2A
SCHEMBL28348608 0.86 FKBP4 (0.47) TACR1FKBP4MMP3MMP1KMT2A
SCHEMBL3396899 0.86 ELANE (0.48) TACR1FKBP4TRPV1MMP2LMNA
SCHEMBL1257864 0.86 LMNA (0.53) TACR1KMT2ATRPV1MMP2LMNA
SCHEMBL7076149 0.85 FKBP4 (0.56) 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 4 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-2005012877-A2 SYSTEMS AND METHODS FOR ANTIBODY ENGINEERING DNA TWOPOINTO INC. (US) 2005-02-10 WO disclosed
WO-2004094630-A1 INSECT CHYMOTRYPSIN AND INHIBITORS THEREOF HEXIMA LTD (AU) 2004-11-04 WO disclosed