SCHEMBL4765041

SCHEMBL4765041

CC(C)CC(NC(=O)c1ccc2ccccc2c1)C(=O)N([C@H]1CCCNCC1=O)S(=O)(=O)c1ccccn1

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CTSK P43235 17/20 0.43
CTSL P07711 12/20 0.41
CTSS P25774 8/20 0.41
CTSB P07858 4/20 0.41
CASP1 P29466 1/20 0.41
CASP3 P42574 1/20 0.41
CTSV O60911 2/20 0.40
TAS1R3 Q7RTX0 1/20 0.40
TAS1R1 Q7RTX1 1/20 0.40

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
SCHEMBL4823843 0.94 TAS1R3 (0.49) CTSKCTSLCTSSCTSBCTSV
SCHEMBL4768321 0.91 CCR1 (0.42) CTSKCTSLCTSSCTSBCTSV
SCHEMBL4770472 0.89 CTSK (0.42) CTSKCTSLCTSSCTSBCTSV
SCHEMBL4765600 0.88 CTSK (0.54) CTSKCTSLCTSSCTSBCTSV
SCHEMBL4766629 0.87 CTSK (0.46) CTSKCTSLCTSSCTSBCTSV
SCHEMBL4830428 0.86 CTSK (0.46) CTSKCTSLCTSSCTSBCTSV
SCHEMBL4821292 0.86 CTSK (0.56) CTSKCTSLCTSSCTSBCTSV
SCHEMBL4763062 0.85 GRN (0.47) CTSKCTSLCTSSCTSBCTSV
SCHEMBL4762204 0.85 CTSK (0.45) CTSKCTSLCTSSCTSBCTSV
SCHEMBL4770696 0.83 CTSL (0.47) CTSKCTSLCTSSCTSBCTSV

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