SCHEMBL7409676

SCHEMBL7409676

CC(C)C[C@H](NC(=O)c1cc2ccccc2o1)C(=O)N[C@H]1CCN(CCc2ccccc2)C1

nearest known ligand 0.66

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
UTS2R Q9UKP6 3/20 0.66
CTSK P43235 13/20 0.58
TAS1R3 Q7RTX0 2/20 0.54
TAS1R1 Q7RTX1 2/20 0.54
CTSL P07711 12/20 0.51
CTSS P25774 8/20 0.51
CTSB P07858 3/20 0.51
CTSV O60911 2/20 0.51
SLC6A2 P23975 1/20 0.50
SLC6A4 P31645 1/20 0.50

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
SCHEMBL7415352 0.88 UTS2R (0.75) UTS2RCTSKTAS1R3TAS1R1CTSL
SCHEMBL7706432 0.86 UTS2R (0.78) UTS2RCTSKTAS1R3TAS1R1
SCHEMBL7405521 0.84 DRD4 (0.67) UTS2RCTSK
SCHEMBL7404676 0.84 UTS2R (0.69) UTS2RCTSKTAS1R3TAS1R1SLC6A2
SCHEMBL7412603 0.81 UTS2R (0.67) UTS2RCTSKCTSLCTSSCTSB
SCHEMBL7409507 0.78 HRH2 (0.55) UTS2RCTSKCTSS
SCHEMBL7409906 0.78 UTS2R (0.59) UTS2RCTSK
SCHEMBL7412663 0.77 UTS2R (0.50) UTS2R
SCHEMBL7412018 0.77 UTS2R (0.64) UTS2RCTSK
SCHEMBL7407746 0.77 UTS2R (0.64) 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 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