SCHEMBL4766807

SCHEMBL4766807

COc1ccc2oc(C(=O)NC(CC(C)C)C(=O)N([C@H]3CCCNCC3=O)S(=O)(=O)c3ncccc3C)cc2c1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 7/20 0.47
TAS1R1 Q7RTX1 7/20 0.47
CTSK P43235 11/20 0.39
CTSL P07711 10/20 0.39
CTSS P25774 6/20 0.39
CTSB P07858 4/20 0.39
CTSV O60911 2/20 0.39
CHRNB2 P17787 1/20 0.38
CHRNA7 P36544 1/20 0.38
CHRNA4 P43681 1/20 0.38

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
SCHEMBL7425840 0.90 TAS1R3 (0.48) TAS1R3TAS1R1CTSKCTSLCTSS
SCHEMBL4770836 0.87 TAS1R3 (0.51) TAS1R3TAS1R1CTSKCTSLCTSS
SCHEMBL4770834 0.87 TAS1R3 (0.51) TAS1R3TAS1R1CTSKCTSLCTSS
SCHEMBL4762072 0.86 TAS1R3 (0.49) TAS1R3TAS1R1CTSKCTSLCTSS
SCHEMBL4770805 0.85 TAS1R3 (0.49) TAS1R3TAS1R1CTSKCTSLCTSS
SCHEMBL4770801 0.85 TAS1R3 (0.49) TAS1R3TAS1R1CTSKCTSLCTSS
SCHEMBL4765650 0.85 TAS1R3 (0.50) TAS1R3TAS1R1CTSKCTSLCTSS
SCHEMBL4769990 0.85 TAS1R3 (0.50) TAS1R3TAS1R1CTSKCTSLCTSS
SCHEMBL4761901 0.85 TAS1R3 (0.48) TAS1R3TAS1R1CTSKCTSLCTSS
SCHEMBL4761899 0.85 TAS1R3 (0.48) TAS1R3TAS1R1CTSKCTSLCTSS

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