SCHEMBL7409398

SCHEMBL7409398

CC(C)C[C@H](NC(=O)c1ccc2ccccc2n1)C(=O)N[C@H]1CCN(Cc2ccc(Oc3ccccc3)cc2)C1

nearest known ligand 0.79

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
UTS2R Q9UKP6 15/20 0.79
SCN9A Q15858 1/20 0.56
CTSK P43235 3/20 0.51
CTSL P07711 1/20 0.51
CTSB P07858 1/20 0.51
CTSS P25774 1/20 0.51
HTR1A P08908 1/20 0.49
DRD2 P14416 1/20 0.49
HTR7 P34969 1/20 0.49
HTR6 P50406 1/20 0.49

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
SCHEMBL7411023 0.93 UTS2R (0.77) UTS2RSCN9ACTSKCTSLCTSB
SCHEMBL7407978 0.93 UTS2R (0.77) UTS2RSCN9ACTSKCTSLCTSB
SCHEMBL7402846 0.93 UTS2R (0.77) UTS2RSCN9ACTSKCTSLCTSB
SCHEMBL7411150 0.92 UTS2R (0.76) UTS2RCTSKCTSLCTSBCTSS
SCHEMBL7410878 0.88 UTS2R (0.69) UTS2RCTSKCTSLCTSBCTSS
SCHEMBL7408349 0.87 UTS2R (0.66) UTS2R
SCHEMBL7412603 0.86 UTS2R (0.67) UTS2RCTSKCTSLCTSBCTSS
SCHEMBL7706432 0.83 UTS2R (0.78) UTS2RCTSK
SCHEMBL6577775 0.83 UTS2R (0.63) UTS2RCTSKCTSLCTSBCTSS
SCHEMBL7712312 0.82 UTS2R (0.78) UTS2RCTSK

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6369077-B1 OSTEOPOROSIS, PERIODONTITIS, AND ARTHRITIS SMITHKLINE BEECHAM CORPORATION 2002-04-09 US claimed
EP-0991753-A4 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2001-07-11 EP claimed
EP-0991753-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2000-04-12 EP claimed
WO-1998050534-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 1998-11-12 WO claimed
EP-0817778-A1 REVERSIBLE PROTEASE INHIBITORS ARRIS PHARMACEUTICAL CORPORATION (US) 1998-01-14 EP claimed
WO-1996030353-A1 REVERSIBLE PROTEASE INHIBITORS ARRIS PHARMACEUTICAL CORPORATION (US) 1996-10-03 WO claimed
US-6369077-B1 OSTEOPOROSIS, PERIODONTITIS, AND ARTHRITIS SMITHKLINE BEECHAM CORPORATION 2002-04-09 US disclosed
EP-0991753-A4 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2001-07-11 EP disclosed
EP-0991753-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2000-04-12 EP disclosed
WO-1998050534-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 1998-11-12 WO disclosed