SCHEMBL4554202

SCHEMBL4554202

Cn1nccc1-c1ccc(C(=O)NC(Cc2ccccc2)C(NC(=O)O)C(C)(C)C)cc1Br

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CTSV O60911 1/20 0.42
CTSL P07711 1/20 0.42
CTSB P07858 1/20 0.42
CTSS P25774 1/20 0.42
HDAC8 Q9BY41 11/20 0.40
ROCK2 O75116 4/20 0.38
CCR1 P32246 3/20 0.37
ROCK1 Q13464 1/20 0.37

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
SCHEMBL4553029 0.88 TRPM8 (0.41) CTSVCTSLCTSBCTSSHDAC8
SCHEMBL4539905 0.83 AKT1 (0.41) CTSVCTSLCTSBCTSSHDAC8
SCHEMBL4540224 0.82 HDAC8 (0.38) CTSVCTSLCTSBCTSSHDAC8
SCHEMBL4540876 0.82 AKT1 (0.43) CTSVCTSLCTSBCTSSHDAC8
SCHEMBL3333710 0.81 ROCK2 (0.50) CTSVCTSLCTSBCTSSHDAC8
SCHEMBL4371338 0.80 HDAC8 (0.40) CTSVCTSLCTSBCTSSHDAC8
SCHEMBL3333558 0.79 CTSV (0.41) CTSVCTSLCTSBCTSSHDAC8
SCHEMBL4542689 0.79 HDAC8 (0.39) CTSVCTSLCTSBCTSSHDAC8
SCHEMBL4384617 0.79 HDAC8 (0.43) CTSVCTSLCTSBCTSSHDAC8
SCHEMBL4552839 0.79 HDAC8 (0.44) CTSVCTSLCTSBCTSSHDAC8

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-2134175-A1 INHIBITORS OF AKT ACTIVITY Smithkline Beecham Corporation (US) 2009-12-23 EP disclosed
WO-2008121786-A1 INHIBITORS OF AKT ACTIVITY SMITHKLINE BEECHAM CORPORATION (US) 2008-10-09 WO disclosed