SCHEMBL6237115

SCHEMBL6237115

CCCC(NC(=O)c1cc2cccc(OCC)c2o1)C(=O)N1CCC2C1C(=O)CN2S(=O)(=O)c1cccc[n+]1[O-]

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.38
CHRNA7 P36544 2/20 0.36
CHRNB2 P17787 1/20 0.36
CHRNA4 P43681 1/20 0.36
UGCG Q16739 2/20 0.36
KDM4E B2RXH2 1/20 0.35
USP2 O75604 1/20 0.35
HPGD P15428 1/20 0.35
ALOX15 P16050 1/20 0.35
HSD17B10 Q99714 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
CTSK P43235 10/20 0.35
CTSL P07711 9/20 0.35
CTSS P25774 5/20 0.35
CTSB P07858 3/20 0.35
CTSV O60911 2/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
CNR2 P34972 1/20 0.33

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
SCHEMBL6210152 0.88 CTSK (0.43) CTSKCTSLCTSSCTSBCTSV
SCHEMBL4046844 0.84 HPGD (0.32) CHRNA7KDM4EHPGDHSD17B10CTSK
SCHEMBL6209902 0.84 CHRNA7 (0.40) CHRNA7CHRNB2CHRNA4UGCGKDM4E
SCHEMBL6241602 0.82 CTSK (0.45) CHRNA7CTSKCTSSCTSB
SCHEMBL6211650 0.82 CCR1 (0.46) CTSK
SCHEMBL4047816 0.80 CTSK (0.33) CTSKCTSLCTSSCTSBCTSV
SCHEMBL6237568 0.80 CTSK (0.46) CTSKCTSLCTSSCTSV
SCHEMBL4037229 0.80 CTSK (0.45) CTSKCTSLCTSSCTSV
SCHEMBL4049558 0.80 CTSK (0.36) CTSK
SCHEMBL4045332 0.79 CTSK (0.43) CTSKCTSLCTSSCTSVMEN1

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-1546150-A1 BIOLOGICALLY ACTIVE COMPOUNDS Amura Therapeutics Limited (GB) 2005-06-29 EP disclosed
WO-2004007501-A1 BIOLOGICALLY ACTIVE COMPOUNDS AMURA THERAPEUTICS LIMITED (GB) 2004-01-22 WO disclosed