SCHEMBL8203518

SCHEMBL8203518

O=C(CC1CCCC1)C1CNCCN1C(=O)OCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PREP P48147 3/20 0.47
CTSK P43235 2/20 0.46
CTSB P07858 1/20 0.46
CTSS P25774 1/20 0.46
HTR2C P28335 1/20 0.46
CTRB1 P17538 1/20 0.45
TSHR P16473 2/20 0.44
ALDH1A1 P00352 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
KMT2A Q03164 1/20 0.43
KLK7 P49862 1/20 0.43
KLK5 Q9Y337 1/20 0.43
KDM4E B2RXH2 1/20 0.43
LMNA P02545 1/20 0.43

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
SCHEMBL8220722 0.84 HTR2C (0.53) PREPHTR2CCTRB1TSHRNPSR1
SCHEMBL7251746 0.84 HTR2C (0.53) PREPHTR2CCTRB1TSHRNPSR1
SCHEMBL4674934 0.83 HTR2C (0.52) PREPHTR2CCTRB1NPSR1NPC1
SCHEMBL375940 0.83 KLK7 (0.50) PREPCTSKCTSBCTSSHTR2C
SCHEMBL12479521 0.82 SMN1; SMN2 (0.53) PREPHTR2CCTRB1TSHRNPSR1
SCHEMBL7909480 0.81 HTR2C (0.50) PREPHTR2CCTRB1TSHRNPSR1
Hydrochloric Acid SCHEMBL1532877 0.81 SMN1; SMN2 (0.52) PREPHTR2CCTRB1TSHRNPSR1
SCHEMBL28978066 0.81 HTR2C (0.50) PREPHTR2CCTRB1TSHRNPSR1
SCHEMBL6501753 0.80 HTR2C (0.52) PREPCTSKHTR2CCTRB1TSHR
SCHEMBL6487292 0.80 HTR2C (0.52) PREPCTSKHTR2CCTRB1TSHR

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-2295410-A1 HDAC inhibitor Chroma Therapeutics Limited (GB) 2011-03-16 EP disclosed
WO-2008040934-A1 HDAC INHIBITORS CHROMA THERAPEUTICS LTD. (GB) 2008-04-10 WO disclosed