SCHEMBL6237568

SCHEMBL6237568

CCCC(NC(=O)c1ccc(-c2ccccc2)cc1)C(=O)N1CCC2C1C(=O)CN2S(=O)(=O)c1cccc[n+]1[O-]

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CTSK P43235 7/20 0.46
CCR1 P32246 3/20 0.40
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
CTSS P25774 3/20 0.37
CTSV O60911 2/20 0.37
CTSL P07711 2/20 0.37
KDM1A O60341 5/20 0.36
P2RY12 Q9H244 1/20 0.35
PREP P48147 1/20 0.34
FAP Q12884 1/20 0.34

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
SCHEMBL4037229 0.94 CTSK (0.45) CTSKCCR1CTSSCTSVCTSL
SCHEMBL4044159 0.93 CTSK (0.44) CTSKCCR1CTSSCTSVCTSL
SCHEMBL4041084 0.93 CTSK (0.45) CTSKCCR1CTSSCTSVCTSL
SCHEMBL4048667 0.93 CTSK (0.54) CTSKCCR1CTSSCTSVCTSL
SCHEMBL4043438 0.92 CTSK (0.55) CTSKCCR1CTSSCTSVCTSL
SCHEMBL4045332 0.92 CTSK (0.43) CTSKCCR1CTSSCTSVCTSL
SCHEMBL4038835 0.92 CTSK (0.47) CTSKCCR1CTSSCTSVCTSL
SCHEMBL4041723 0.92 CTSK (0.41) CTSKCCR1CTSSPREP
SCHEMBL4043754 0.91 CTSK (0.43) CTSKCCR1CTSSCTSVCTSL
SCHEMBL4041418 0.91 CTSK (0.48) CTSKCCR1

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 claimed
WO-2004007501-A1 BIOLOGICALLY ACTIVE COMPOUNDS AMURA THERAPEUTICS LIMITED (GB) 2004-01-22 WO claimed