SCHEMBL7409679

SCHEMBL7409679

COc1ccc(C(=O)N[C@@H](CC(C)C)C(=O)N[C@H]2CCN(Cc3ccc(Oc4ccccc4)cc3)C2)cc1OC

nearest known ligand 0.63

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
UTS2R Q9UKP6 16/20 0.63
MCHR1 Q99705 3/20 0.53
SLC2A1 P11166 1/20 0.51

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
SCHEMBL7412275 0.94 UTS2R (0.62) UTS2RMCHR1
SCHEMBL7402864 0.93 UTS2R (0.61) UTS2RMCHR1
SCHEMBL7408349 0.90 UTS2R (0.66) UTS2RMCHR1SLC2A1
SCHEMBL7410729 0.88 MCHR1 (0.63) UTS2RMCHR1
SCHEMBL7403975 0.86 DRD4 (0.66) UTS2RMCHR1
SCHEMBL7410814 0.85 UTS2R (0.68) UTS2R
SCHEMBL7410726 0.84 UTS2R (0.58) UTS2RMCHR1
SCHEMBL7412384 0.83 UTS2R (0.64) UTS2R
SCHEMBL7407746 0.83 UTS2R (0.64) UTS2R
SCHEMBL7412018 0.83 UTS2R (0.64) UTS2R

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