SCHEMBL6209255

SCHEMBL6209255

CCCC(NC(=O)c1cnc2ccccc2n1)C(=O)N1CCC2C1C(=O)CN2S(=O)(=O)C(=O)c1ccccn1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PREP P48147 4/20 0.41
FAP Q12884 4/20 0.41
GRN P28799 1/20 0.41
SORT1 Q99523 1/20 0.41
CTSK P43235 4/20 0.38
CTSL P07711 1/20 0.38
CTSB P07858 1/20 0.38
CTSS P25774 1/20 0.38
PSMB5 P28074 1/20 0.37
MC4R P32245 1/20 0.35
MC3R P41968 1/20 0.35
MC1R Q01726 1/20 0.35
CCR1 P32246 3/20 0.35

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
SCHEMBL4042235 0.90 PREP (0.36) PREPFAPGRNSORT1CTSK
SCHEMBL4045351 0.87 CTSK (0.44) PREPFAPCTSKCTSLCTSS
SCHEMBL4043416 0.86 CTSK (0.54) PREPFAPCTSKCTSLCTSS
SCHEMBL4039917 0.86 CTSK (0.45) PREPFAPCTSKCTSLCTSB
SCHEMBL4039168 0.85 CTSK (0.43) PREPFAPCTSKCCR1
SCHEMBL4041462 0.85 CTSK (0.54) PREPFAPCTSKCTSLCTSB
SCHEMBL4042221 0.85 CTSK (0.46) PREPFAPCTSKCTSLCTSS
SCHEMBL6213754 0.85 CTSK (0.40) PREPFAPCTSKCTSLCTSS
SCHEMBL4040693 0.85 CTSK (0.44) PREPFAPCTSKCTSLCTSS
SCHEMBL4046421 0.85 CTSK (0.42) PREPFAPCTSKCTSLCTSB

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