SCHEMBL4896763

SCHEMBL4896763

O=C(NC(Cc1ccc2ccccc2c1)C(=O)N([C@H]1CCCNCC1=O)S(=O)(=O)c1ccccn1)c1cccc2ccccc12

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CTSL P07711 6/20 0.56
CTSS P25774 6/20 0.56
CTSB P07858 4/20 0.56
CTSK P43235 4/20 0.43
TACR1 P25103 4/20 0.36
CTSV O60911 1/20 0.36
CCR3 P51677 2/20 0.33
CA2 P00918 1/20 0.33
MMP9 P14780 1/20 0.33
MMP8 P22894 1/20 0.33
BDKRB2 P30411 1/20 0.33
MAPKAPK2 P49137 1/20 0.33
ALB P02768 1/20 0.33
IL2 P60568 1/20 0.33
F2 P00734 1/20 0.33
CCKBR P32239 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 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
SCHEMBL4771026 0.93 CTSL (0.49) CTSLCTSSCTSBCTSKTACR1
SCHEMBL4770318 0.93 CTSL (0.47) CTSLCTSSCTSBCTSKCTSV
SCHEMBL4765723 0.86 CTSS (0.45) CTSLCTSSCTSBCTSK
SCHEMBL4763182 0.82 CTSK (0.45) CTSLCTSSCTSBCTSKCCKBR
SCHEMBL5971256 0.81 CTSK (0.55) CTSLCTSSCTSBCTSKCTSV
SCHEMBL4765041 0.81 CTSK (0.43) CTSLCTSSCTSBCTSKCTSV
SCHEMBL4770696 0.80 CTSL (0.47) CTSLCTSSCTSBCTSKCTSV
SCHEMBL4766629 0.80 CTSK (0.46) CTSLCTSSCTSBCTSKCTSV
SCHEMBL4762204 0.79 CTSK (0.45) CTSLCTSSCTSBCTSKCTSV
SCHEMBL6593286 0.78 CTSK (0.48) 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