SCHEMBL6239443

SCHEMBL6239443

CCC([AsH2])C(=O)N1CC(=O)C2C1CCN2C(=O)C(CC(C)C)NC(=O)c1ccc(N(CC)CC)cc1

nearest known ligand 0.64

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CTSK P43235 14/20 0.64
CTSS P25774 5/20 0.43
CCR1 P32246 1/20 0.37
POLB P06746 1/20 0.36
CTSL P07711 4/20 0.35
CTSV O60911 2/20 0.35
CNR2 P34972 1/20 0.34
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA9 Q16790 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
SCHEMBL4046391 0.91 CTSK (0.65) CTSKCTSSCCR1POLBCTSL
SCHEMBL4038905 0.91 CTSK (0.67) CTSKCTSSCCR1POLBCTSL
SCHEMBL4039964 0.90 CTSK (0.64) CTSKCTSSCCR1POLBCTSL
SCHEMBL4045530 0.90 CTSK (0.64) CTSKCTSSCCR1CTSLCTSV
SCHEMBL4042142 0.90 CTSK (0.66) CTSKCTSSCCR1POLBCTSL
SCHEMBL4042339 0.89 CTSK (0.63) CTSKCTSSCCR1POLBCTSL
SCHEMBL4040949 0.89 CTSK (0.65) CTSKCTSSCCR1POLBCTSL
SCHEMBL4043986 0.89 CTSK (0.62) CTSKCTSSCCR1POLBCA12
SCHEMBL4042359 0.88 CTSK (0.64) CTSKCTSSCCR1POLBCTSL
SCHEMBL4041035 0.88 CTSK (0.64) CTSKCTSSCCR1CTSLCTSV

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