SCHEMBL17009197

SCHEMBL17009197

CC1CCCN(C(=O)OCc2ccccc2)C1CO

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PREP P48147 3/20 0.55
ACE2 Q9BYF1 3/20 0.54
NPSR1 Q6W5P4 1/20 0.52
TSHR P16473 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
KLK7 P49862 1/20 0.51
KLK5 Q9Y337 1/20 0.51
KDM4E B2RXH2 1/20 0.51
LMNA P02545 1/20 0.51
GFER P55789 1/20 0.50
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50

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
SCHEMBL16282507 1.00 PREP (0.55) PREPACE2NPSR1TSHRL3MBTL1
SCHEMBL115134 0.92 SMN1; SMN2 (0.52) PREPNPC1RAB9ASMN1; SMN2
SCHEMBL28616033 0.90 PREP (0.53) PREPACE2NPSR1TSHRL3MBTL1
SCHEMBL1875019 0.86 PREP (0.54) PREPACE2NPSR1TSHRL3MBTL1
SCHEMBL4344988 0.85 KDM1A (0.54) PREPACE2NPSR1TSHRL3MBTL1
SCHEMBL221538 0.85 PREP (0.55) PREPACE2NPSR1TSHRL3MBTL1
SCHEMBL221539 0.85 PREP (0.55) PREPACE2NPSR1TSHRL3MBTL1
SCHEMBL221540 0.85 PREP (0.55) PREPACE2NPSR1TSHRL3MBTL1
SCHEMBL16282508 0.84 PREP (0.48) PREPACE2NPSR1TSHRL3MBTL1
SCHEMBL15372095 0.84 PREP (0.59) PREPACE2NPSR1TSHRL3MBTL1

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
WO-2015123355-A1 SUBSTITUTED PROLINES / PIPERIDINES AS OREXIN RECEPTOR ANTAGONISTS EOLAS THERAPEUTICS, INC. (US) 2015-08-20 WO disclosed