SCHEMBL1190089

SCHEMBL1190089

CN(C)C(=O)[C@@H]1CCCCN1C(=O)OCc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PREP P48147 4/20 0.58
FKBP1A P62942 3/20 0.57
NPSR1 Q6W5P4 1/20 0.55
CTSB P07858 1/20 0.55
CTSS P25774 1/20 0.55
CTSK P43235 1/20 0.55
TSHR P16473 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
KDM4E B2RXH2 1/20 0.54
LMNA P02545 1/20 0.54
CTRB1 P17538 1/20 0.53
GFER P55789 1/20 0.53
CPT2 P23786 1/20 0.53
CPT1A P50416 1/20 0.53
ALDH1A1 P00352 1/20 0.53

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
SCHEMBL25678350 1.00 PREP (0.58) PREPFKBP1ANPSR1CTSBCTSS
SCHEMBL27848134 1.00 PREP (0.58) PREPFKBP1ANPSR1CTSBCTSS
SCHEMBL10756725 0.96 PREP (0.62) PREPNPSR1TSHRL3MBTL1KDM4E
SCHEMBL489615 0.96 PREP (0.62) PREPNPSR1TSHRL3MBTL1KDM4E
SCHEMBL10756717 0.96 PREP (0.62) PREPNPSR1TSHRL3MBTL1KDM4E
SCHEMBL4185467 0.91 PREP (0.56) PREPNPSR1TSHRL3MBTL1KDM4E
SCHEMBL8604450 0.90 PREP (0.58) PREPFKBP1ANPSR1CTSBCTSS
SCHEMBL13500680 0.86 PREP (0.61) PREPFKBP1ANPSR1CTSBCTSS
SCHEMBL13119286 0.86 PREP (0.61) PREPFKBP1ANPSR1CTSBCTSS
SCHEMBL14828710 0.86 PREP (0.61) PREPFKBP1ANPSR1CTSBCTSS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101917981-B Peptide deformylase inhibitors SMITHKLINE BEECHAM CORP 2012-11-14 CN disclosed
US-7893056-B2 Peptide deformylase inhibitors GLAXOSMITHKLINE LLC (US) 2011-02-22 US disclosed
CN-101917981-A Peptide deformylase inhibitors SMITHKLINE BEECHAM CORP 2010-12-15 CN disclosed