SCHEMBL4766735

SCHEMBL4766735

CC(C)CC(NC(=O)OC(C)(C)C)C(=O)N(C(=O)Cc1cccc(-c2ccccn2)c1)C1CCCNC[C@@H]1O

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CTSK P43235 5/20 0.38
MAPK1 P28482 1/20 0.37
REN P00797 8/20 0.36
CTSB P07858 2/20 0.35
CTSS P25774 2/20 0.35
CTSL P07711 2/20 0.35
KDM4D Q6B0I6 1/20 0.35
POLB P06746 1/20 0.34
GPR55 Q9Y2T6 1/20 0.34
ALDH1A1 P00352 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
SCHEMBL6589591 0.88 CTSK (0.34) CTSKRENCTSBCTSSCTSL
SCHEMBL6588445 0.82 MAPK1 (0.38) CTSKMAPK1RENALDH1A1
SCHEMBL6606704 0.82 CTSK (0.33) CTSKCTSBCTSSCTSL
SCHEMBL6590880 0.78 CTSK (0.37) CTSKMAPK1CTSBCTSSCTSL
SCHEMBL5971691 0.78 MAPK1 (0.36) CTSKMAPK1RENCTSBCTSS
SCHEMBL4762162 0.77 MAPK1 (0.41) CTSKMAPK1RENCTSBCTSS
SCHEMBL6605289 0.77 SLC6A2 (0.34) CTSKCTSBCTSSCTSL
SCHEMBL6589085 0.76 HCRTR1 (0.33) CTSKCTSBCTSSCTSL
SCHEMBL4766632 0.75 NPC1 (0.41) CTSKMAPK1CTSS
SCHEMBL4689761 0.74 CTSK (0.63) CTSKMAPK1CTSBCTSSCTSL

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1320370-A4 METHOD OF TREATMENT SMITHKLINE BEECHAM CORP (US) 2008-10-22 EP disclosed
EP-1320370-A1 METHOD OF TREATMENT SmithKline Beecham Corporation (US) 2003-06-25 EP disclosed
WO-2002017924-A1 METHOD OF TREATMENT SMITHKLINE BEECHAM CORPORATION (GB) 2002-03-07 WO disclosed