SCHEMBL7410729

SCHEMBL7410729

COc1ccc(CN2CC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)c3ccc4ccccc4c3)C2)cc1OC

nearest known ligand 0.63

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 7/20 0.63
UTS2R Q9UKP6 11/20 0.58
DRD4 P21917 2/20 0.54

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
SCHEMBL7411042 0.92 UTS2R (0.62) MCHR1UTS2RDRD4
SCHEMBL7403975 0.91 DRD4 (0.66) MCHR1UTS2RDRD4
SCHEMBL7412275 0.90 UTS2R (0.62) MCHR1UTS2RDRD4
SCHEMBL7402864 0.89 UTS2R (0.61) MCHR1UTS2RDRD4
SCHEMBL7412018 0.89 UTS2R (0.64) UTS2RDRD4
SCHEMBL7407746 0.89 UTS2R (0.64) UTS2RDRD4
SCHEMBL7412384 0.89 UTS2R (0.64) UTS2RDRD4
SCHEMBL7409679 0.88 UTS2R (0.63) MCHR1UTS2R
SCHEMBL7409331 0.88 UTS2R (0.64) UTS2RDRD4
SCHEMBL7411577 0.88 DRD4 (0.64) MCHR1UTS2RDRD4

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