SCHEMBL7445830

SCHEMBL7445830

CC(C)C[C@H](N)C(=O)N1CCC=CC(N)C(O)C1S(=O)(=O)c1ccccn1

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 1/20 0.35
SLC6A15 Q9H2J7 1/20 0.35
DPP4 P27487 2/20 0.34
DPP8 Q6V1X1 1/20 0.33
DPP9 Q86TI2 1/20 0.33
DPP7 Q9UHL4 1/20 0.33
CTSK P43235 13/20 0.33
CTSL P07711 13/20 0.33
CTSS P25774 9/20 0.33
CTSB P07858 3/20 0.33
CTSV O60911 2/20 0.33
CACNA1B Q00975 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
NPSR1 Q6W5P4 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
SCHEMBL7445866 0.83 CTSK (0.47) CTSKCTSLCTSSCTSB
SCHEMBL7453952 0.81 CTSK (0.40) CTSKCTSLCTSSCTSBCTSV
SCHEMBL7453958 0.80 CTSK (0.54) CTSKCTSLCTSSCTSBCTSV
SCHEMBL7450638 0.80 CTSK (0.39) CTSKCTSLCTSSCTSBCTSV
SCHEMBL7450642 0.80 TRPV4 (0.47) CTSKCTSLCTSSCTSBCTSV
SCHEMBL7514439 0.78 CTSK (0.43) CTSKCTSLCTSSCTSBCTSV
SCHEMBL4041763 0.70 CTSK (0.45) DPP4DPP8DPP9DPP7CTSK
SCHEMBL7445825 0.69 CTSK (0.42) CTSKCTSLCTSSCTSBCTSV
SCHEMBL7508575 0.68 CTSK (0.47) CTSKCTSLCTSSCTSBKDM4E
SCHEMBL7449697 0.68 CTSK (0.42) 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2002533452-A 2002-10-08 JP claimed
EP-1140897-A4 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2002-04-03 EP claimed
EP-1140897-A1 PROTEASE INHIBITORS SmithKline Beecham Corporation (US) 2001-10-10 EP claimed
WO-2000039115-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2000-07-06 WO claimed
EP-1140897-A4 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2002-04-03 EP disclosed
EP-1140897-A1 PROTEASE INHIBITORS SmithKline Beecham Corporation (US) 2001-10-10 EP disclosed
WO-2000039115-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2000-07-06 WO disclosed