SCHEMBL6213754

SCHEMBL6213754

CCCC(NC(=O)c1ccoc1)C(=O)N1CCC2C1C(=O)CN2S(=O)(=O)C(=O)c1ccccn1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CTSK P43235 11/20 0.40
PREP P48147 3/20 0.39
FAP Q12884 3/20 0.39
CTSL P07711 9/20 0.35
CTSS P25774 8/20 0.35
CCR1 P32246 1/20 0.34
CTSV O60911 2/20 0.34
MC4R P32245 1/20 0.33
MC3R P41968 1/20 0.33
MC1R Q01726 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
SCHEMBL4045351 0.89 CTSK (0.44) CTSKPREPFAPCTSLCTSS
SCHEMBL4041785 0.88 PREP (0.35) CTSKPREPFAPCTSLCTSS
SCHEMBL4039917 0.88 CTSK (0.45) CTSKPREPFAPCTSLCTSS
SCHEMBL4043416 0.88 CTSK (0.54) CTSKPREPFAPCTSLCTSS
SCHEMBL4039168 0.87 CTSK (0.43) CTSKPREPFAPCCR1
SCHEMBL4041462 0.87 CTSK (0.54) CTSKPREPFAPCTSLCTSS
SCHEMBL4042221 0.87 CTSK (0.46) CTSKPREPFAPCTSLCTSS
SCHEMBL4043918 0.87 CTSK (0.41) CTSKPREPFAPCTSLCTSS
SCHEMBL4040693 0.86 CTSK (0.44) CTSKPREPFAPCTSLCTSS
SCHEMBL4046421 0.86 CTSK (0.42) CTSKPREPFAPCTSLCTSS

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