SCHEMBL845652

SCHEMBL845652

CN(C(=O)[C@@H]1CCCN1C(=O)OCc1ccccc1)c1ccc(/C=C/c2ccc(N(C)C(=O)[C@@H]3CCCN3C(=O)OCc3ccccc3)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PREP P48147 4/20 0.53
F10 P00742 2/20 0.51
NPSR1 Q6W5P4 1/20 0.51
TSHR P16473 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
KDM4E B2RXH2 1/20 0.50
LMNA P02545 1/20 0.50
GFER P55789 1/20 0.49
CTRB1 P17538 1/20 0.49
ALDH1A1 P00352 1/20 0.48
KMT2A Q03164 2/20 0.48
TP53 P04637 1/20 0.48
MEN1 O00255 1/20 0.48

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
SCHEMBL845404 0.96 PREP (0.50) PREPF10NPSR1TSHRL3MBTL1
SCHEMBL4385819 0.90 GFER (0.58) PREPF10NPSR1TSHRL3MBTL1
SCHEMBL10756717 0.84 PREP (0.62) PREPNPSR1TSHRL3MBTL1KDM4E
SCHEMBL10756725 0.84 PREP (0.62) PREPNPSR1TSHRL3MBTL1KDM4E
SCHEMBL489615 0.84 PREP (0.62) PREPNPSR1TSHRL3MBTL1KDM4E
SCHEMBL4386402 0.83 GFER (0.58) PREPNPSR1TSHRL3MBTL1KDM4E
SCHEMBL7655851 0.83 PREP (0.62) PREPNPSR1TSHRL3MBTL1KDM4E
SCHEMBL872323 0.82 STAT6 (0.43) F10L3MBTL1KDM4ELMNAALDH1A1
SCHEMBL25678350 0.80 PREP (0.58) PREPNPSR1TSHRL3MBTL1KDM4E
SCHEMBL26364677 0.80 PREP (0.59) PREPNPSR1TSHRL3MBTL1KDM4E

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