SCHEMBL4771026

SCHEMBL4771026

O=C(NC(Cc1ccc2ccccc2c1)C(=O)N([C@H]1CCCNCC1=O)S(=O)(=O)c1ccccn1)c1cccc2cccnc12

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CTSL P07711 6/20 0.49
CTSS P25774 6/20 0.49
CTSB P07858 4/20 0.49
CTSK P43235 6/20 0.43
TACR1 P25103 6/20 0.34
KCNA5 P22460 1/20 0.33
CA2 P00918 1/20 0.33
MMP9 P14780 1/20 0.33
MMP8 P22894 1/20 0.33
ITGAV P06756 1/20 0.32
ITGB6 P18564 1/20 0.32
F2 P00734 1/20 0.32
PREP P48147 1/20 0.32
CNR1 P21554 1/20 0.32
CNR2 P34972 1/20 0.32
CTSV O60911 1/20 0.32

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
SCHEMBL4896763 0.93 CTSL (0.56) CTSLCTSSCTSBCTSKTACR1
SCHEMBL4765723 0.93 CTSS (0.45) CTSLCTSSCTSBCTSKKCNA5
SCHEMBL4770318 0.86 CTSL (0.47) CTSLCTSSCTSBCTSKKCNA5
SCHEMBL4763182 0.81 CTSK (0.45) CTSLCTSSCTSBCTSK
SCHEMBL5971256 0.80 CTSK (0.55) CTSLCTSSCTSBCTSKCTSV
SCHEMBL4765041 0.80 CTSK (0.43) CTSLCTSSCTSBCTSKCTSV
SCHEMBL4770696 0.78 CTSL (0.47) CTSLCTSSCTSBCTSKPREP
SCHEMBL6593286 0.77 CTSK (0.48) CTSLCTSSCTSBCTSKCTSV
SCHEMBL4770472 0.76 CTSK (0.42) CTSLCTSSCTSBCTSKCTSV
SCHEMBL6206715 0.76 CTSK (0.51) CTSLCTSSCTSBCTSKCTSV

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