SCHEMBL4972525

SCHEMBL4972525

O=C(OCc1ccccc1)N1CCCC1C(=O)N(c1ccccc1)C1CCNCC1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PREP P48147 4/20 0.52
CTRB1 P17538 1/20 0.49
NPSR1 Q6W5P4 1/20 0.48
TSHR P16473 2/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
KMT2A Q03164 1/20 0.48
KLK7 P49862 1/20 0.48
KLK5 Q9Y337 1/20 0.48
KDM4E B2RXH2 1/20 0.48
LMNA P02545 1/20 0.48
CTSK P43235 1/20 0.47
GFER P55789 1/20 0.47
HSD17B10 Q99714 1/20 0.47
ALDH1A1 P00352 2/20 0.46

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
SCHEMBL26364530 0.86 PREP (0.52) PREPCTRB1NPSR1TSHRL3MBTL1
SCHEMBL26364677 0.82 PREP (0.59) PREPCTRB1NPSR1TSHRL3MBTL1
SCHEMBL26364694 0.81 PREP (0.51) PREPCTRB1NPSR1TSHRL3MBTL1
SCHEMBL10756725 0.79 PREP (0.62) PREPCTRB1NPSR1TSHRL3MBTL1
SCHEMBL489615 0.79 PREP (0.62) PREPCTRB1NPSR1TSHRL3MBTL1
SCHEMBL10756717 0.79 PREP (0.62) PREPCTRB1NPSR1TSHRL3MBTL1
SCHEMBL5755965 0.78 PREP (0.54) PREPCTRB1NPSR1TSHRL3MBTL1
SCHEMBL205438 0.78 PREP (0.64) PREPCTRB1NPSR1TSHRL3MBTL1
SCHEMBL774705 0.78 PREP (0.64) PREPCTRB1NPSR1TSHRL3MBTL1
SCHEMBL18901785 0.78 PREP (0.64) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1976829-A2 N-(6-MEMBERED AROMATIC RING)-AMIDO ANTI-VIRAL COMPOUNDS GENELABS TECHNOLOGIES, INC. (US) 2008-10-08 EP disclosed
WO-2007070556-A2 N-(6-MEMBERED AROMATIC RING)-AMIDO ANTI-VIRAL COMPOUNDS GENELABS TECHNOLOGIES, INC. (US) 2007-06-21 WO disclosed