SCHEMBL11517201

SCHEMBL11517201

CNC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)OCc1ccccc1

nearest known ligand 0.68

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PREP P48147 2/20 0.68
ELANE P08246 1/20 0.54
REN P00797 1/20 0.54
CTRB1 P17538 1/20 0.52
ACE P12821 3/20 0.52
CYP3A4 P08684 2/20 0.52
TSHR P16473 2/20 0.52
ALDH1A1 P00352 1/20 0.52
LMNA P02545 3/20 0.51
NPSR1 Q6W5P4 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.48
KMT2A Q03164 1/20 0.48
KDM4E B2RXH2 1/20 0.48
CYP1A2 P05177 1/20 0.48
CMA1 P23946 1/20 0.48
GFER P55789 1/20 0.48
FKBP1A P62942 1/20 0.47

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
SCHEMBL11517511 0.93 PREP (0.70) PREPELANERENCTRB1ACE
SCHEMBL7871516 0.90 PREP (0.72) PREPELANEACECYP3A4TSHR
SCHEMBL7334484 0.90 PREP (0.72) PREPELANEACECYP3A4TSHR
SCHEMBL22209468 0.90 PREP (0.72) PREPELANEACECYP3A4TSHR
SCHEMBL11515816 0.90 PREP (0.66) PREPELANERENCTRB1ACE
SCHEMBL16000756 0.89 PREP (0.71) PREPELANERENCTRB1ACE
SCHEMBL11428845 0.89 PREP (0.65) PREPELANERENCTRB1ACE
SCHEMBL8198229 0.88 PREP (0.70) PREPELANERENCTRB1ACE
SCHEMBL22209424 0.88 PREP (0.70) PREPELANERENCTRB1ACE
SCHEMBL7305929 0.88 PREP (0.70) PREPELANERENCTRB1ACE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4176116-A ELASTASE ENZYME INHIBITORS HOFFMANN-LA ROCHE INC. (US) 1979-11-27 US disclosed