SCHEMBL7409463

SCHEMBL7409463

CC(C)C[C@H](NC(=O)c1cnc2ccccc2c1)C(=O)N[C@H]1CCN(Cc2ccccc2)C1

nearest known ligand 0.60

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
UTS2R Q9UKP6 16/20 0.60
CXCR4 P61073 1/20 0.56
CCR1 P32246 1/20 0.51
DRD2 P14416 1/20 0.49
DRD4 P21917 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
SCHEMBL7407547 1.00 UTS2R (0.60) UTS2RCXCR4CCR1DRD2DRD4
SCHEMBL7402904 0.90 UTS2R (0.59) UTS2R
SCHEMBL7407746 0.87 UTS2R (0.64) UTS2RDRD4
SCHEMBL7412018 0.87 UTS2R (0.64) UTS2RDRD4
SCHEMBL7412384 0.87 UTS2R (0.64) UTS2RDRD4
SCHEMBL7408813 0.85 UTS2R (0.62) UTS2RDRD2DRD4
SCHEMBL7410404 0.85 UTS2R (0.62) UTS2RDRD2DRD4
SCHEMBL7402846 0.84 UTS2R (0.77) UTS2RDRD2
SCHEMBL7407978 0.84 UTS2R (0.77) UTS2RDRD2
SCHEMBL7411023 0.84 UTS2R (0.77) UTS2RDRD2

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 8 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
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