SCHEMBL4830428

SCHEMBL4830428

CC(C)CC(NC(=O)c1cc2ccccc2s1)C(=O)N([C@H]1CCCNCC1=O)S(=O)(=O)c1ccccn1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CTSK P43235 13/20 0.46
TAS1R3 Q7RTX0 2/20 0.45
TAS1R1 Q7RTX1 2/20 0.45
CTSS P25774 7/20 0.40
CTSL P07711 7/20 0.40
CTSB P07858 4/20 0.40
CTSV O60911 2/20 0.40
UTS2R Q9UKP6 1/20 0.40
TRPV4 Q9HBA0 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
SCHEMBL4770431 0.89 CTSK (0.44) CTSKTAS1R3TAS1R1CTSSCTSB
SCHEMBL6771256 0.88 CTSK (0.50) CTSKTAS1R3TAS1R1CTSSCTSB
SCHEMBL4762325 0.87 CTSK (0.47) CTSKTAS1R3TAS1R1CTSSCTSB
SCHEMBL6765735 0.87 CTSK (0.46) CTSKTAS1R3TAS1R1CTSSCTSB
SCHEMBL4765349 0.87 CTSK (0.46) CTSKTAS1R3TAS1R1CTSSCTSB
SCHEMBL4765345 0.87 CTSK (0.46) CTSKTAS1R3TAS1R1CTSSCTSB
SCHEMBL4765437 0.87 TRPV4 (0.46) CTSKTAS1R3TAS1R1CTSSCTSB
SCHEMBL4765434 0.87 TRPV4 (0.46) CTSKTAS1R3TAS1R1CTSSCTSB
SCHEMBL4838791 0.87 CTSK (0.46) CTSKTAS1R3TAS1R1CTSSCTSB
SCHEMBL4765041 0.86 CTSK (0.43) CTSKTAS1R3TAS1R1CTSSCTSL

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