SCHEMBL7520155

SCHEMBL7520155

CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@H]1CCN(Cc2ccc(-c3ccccc3)cc2)C1

nearest known ligand 0.61

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
UTS2R Q9UKP6 4/20 0.61
CTSK P43235 15/20 0.60
CTSL P07711 7/20 0.56
CTSS P25774 5/20 0.56
CTSB P07858 2/20 0.56
DRD2 P14416 1/20 0.55
DRD4 P21917 1/20 0.55

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
SCHEMBL7406523 0.96 CTSK (0.64) UTS2RCTSKCTSLCTSSCTSB
SCHEMBL7407663 0.91 CTSK (0.67) CTSKCTSLCTSSCTSB
SCHEMBL7407107 0.88 UTS2R (0.61) UTS2RDRD2DRD4
SCHEMBL7415020 0.84 UTS2R (0.62) UTS2RDRD2DRD4
SCHEMBL7400619 0.84 UTS2R (0.62) UTS2RDRD2DRD4
SCHEMBL7402928 0.84 UTS2R (0.62) UTS2RDRD2DRD4
SCHEMBL4316252 0.82 CTSK (0.70) CTSKCTSLCTSSCTSB
SCHEMBL7408984 0.80 UTS2R (0.65) UTS2R
SCHEMBL7409331 0.80 UTS2R (0.64) UTS2RDRD2DRD4
SCHEMBL7402864 0.80 UTS2R (0.61) UTS2RDRD2DRD4

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 5 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
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