SCHEMBL845404

SCHEMBL845404

CC(=O)N1CCC[C@H]1C(=O)N(C)c1ccc(/C=C/c2ccc(N(C)C(=O)[C@@H]3CCCN3C(=O)OCc3ccccc3)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PREP P48147 4/20 0.50
F10 P00742 2/20 0.49
CTRB1 P17538 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
TSHR P16473 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
KDM4E B2RXH2 1/20 0.47
LMNA P02545 1/20 0.47
CTSK P43235 1/20 0.47
GFER P55789 1/20 0.47
ALDH1A1 P00352 1/20 0.46
STAT6 P42226 1/20 0.46
TP53 P04637 1/20 0.45

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
SCHEMBL845652 0.96 PREP (0.53) PREPF10CTRB1NPSR1TSHR
SCHEMBL4385819 0.86 GFER (0.58) PREPF10CTRB1NPSR1TSHR
SCHEMBL10756717 0.80 PREP (0.62) PREPCTRB1NPSR1TSHRL3MBTL1
SCHEMBL10756725 0.80 PREP (0.62) PREPCTRB1NPSR1TSHRL3MBTL1
SCHEMBL489615 0.80 PREP (0.62) PREPCTRB1NPSR1TSHRL3MBTL1
SCHEMBL4386402 0.80 GFER (0.58) PREPCTRB1NPSR1TSHRL3MBTL1
SCHEMBL7655851 0.80 PREP (0.62) PREPCTRB1NPSR1TSHRL3MBTL1
SCHEMBL872323 0.79 STAT6 (0.43) F10L3MBTL1KDM4ELMNAALDH1A1
SCHEMBL26364677 0.77 PREP (0.59) PREPCTRB1NPSR1TSHRL3MBTL1
SCHEMBL27848134 0.77 PREP (0.58) PREPCTRB1NPSR1TSHRL3MBTL1

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-8143288-B2 Inhibitors of HCV replication BRISTOL-MYERS SQUIBB COMPANY (US) 2012-03-27 US disclosed