SCHEMBL7415352

SCHEMBL7415352

CC(C)C[C@H](NC(=O)c1cc2ccccc2o1)C(=O)N[C@H]1CCN(Cc2ccc(-c3ccccc3)cc2)C1

nearest known ligand 0.75

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
UTS2R Q9UKP6 14/20 0.75
CTSK P43235 3/20 0.56
TAS1R3 Q7RTX0 2/20 0.52
TAS1R1 Q7RTX1 2/20 0.52
DRD2 P14416 1/20 0.51
DRD4 P21917 1/20 0.51
CTSV O60911 1/20 0.50
CTSL P07711 1/20 0.50
CTSB P07858 1/20 0.50
CTSS P25774 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
SCHEMBL7706432 0.92 UTS2R (0.78) UTS2RCTSKTAS1R3TAS1R1
SCHEMBL7409676 0.88 UTS2R (0.66) UTS2RCTSKTAS1R3TAS1R1CTSV
SCHEMBL7409331 0.85 UTS2R (0.64) UTS2RDRD2DRD4
SCHEMBL7408373 0.85 UTS2R (0.75) UTS2RCTSKTAS1R3TAS1R1
SCHEMBL7411150 0.82 UTS2R (0.76) UTS2RCTSKDRD2DRD4CTSL
SCHEMBL7412384 0.80 UTS2R (0.64) UTS2RCTSKDRD4
SCHEMBL7407746 0.80 UTS2R (0.64) UTS2RCTSKDRD4
SCHEMBL7412018 0.80 UTS2R (0.64) UTS2RCTSKDRD4
SCHEMBL7404890 0.80 UTS2R (0.76) UTS2RCTSKTAS1R3TAS1R1
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 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