SCHEMBL4770696

SCHEMBL4770696

CC(C)CC(NC(=O)c1cccc2ncccc12)C(=O)N([C@H]1CCCNCC1=O)S(=O)(=O)c1ccccn1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CTSL P07711 6/20 0.47
CTSS P25774 6/20 0.47
CTSK P43235 6/20 0.47
CTSB P07858 3/20 0.39
FAP Q12884 8/20 0.38
PREP P48147 8/20 0.38
CCR1 P32246 1/20 0.36
CTSV O60911 1/20 0.36
NTSR1 P30989 1/20 0.35

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
SCHEMBL4762204 0.97 CTSK (0.45) CTSLCTSSCTSKCTSBFAP
SCHEMBL4766629 0.86 CTSK (0.46) CTSLCTSSCTSKCTSBCCR1
SCHEMBL4823843 0.86 TAS1R3 (0.49) CTSLCTSSCTSKCTSBCCR1
SCHEMBL4763062 0.86 GRN (0.47) CTSLCTSSCTSKCTSBCCR1
SCHEMBL4765600 0.86 CTSK (0.54) CTSLCTSSCTSKCTSBCTSV
SCHEMBL4768321 0.84 CCR1 (0.42) CTSLCTSSCTSKCTSBCCR1
SCHEMBL4765494 0.84 CTSK (0.40) CTSLCTSSCTSKCTSBCTSV
SCHEMBL4765041 0.83 CTSK (0.43) CTSLCTSSCTSKCTSBCTSV
SCHEMBL7534924 0.83 CTSK (0.42) CTSLCTSSCTSKCTSBFAP
SCHEMBL4770472 0.83 CTSK (0.42) CTSLCTSSCTSKCTSBCTSV

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