SCHEMBL7400619

SCHEMBL7400619

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

nearest known ligand 0.62

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
UTS2R Q9UKP6 14/20 0.62
MAPK1 P28482 1/20 0.52
HRH2 P25021 2/20 0.51
HRH1 P35367 2/20 0.51
SCN9A Q15858 1/20 0.51
DRD2 P14416 1/20 0.50
DRD4 P21917 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
SCHEMBL7415020 1.00 UTS2R (0.62) UTS2RMAPK1HRH2HRH1SCN9A
SCHEMBL7402928 1.00 UTS2R (0.62) UTS2RMAPK1HRH2HRH1SCN9A
SCHEMBL7407107 0.95 UTS2R (0.61) UTS2RMAPK1HRH2HRH1DRD2
SCHEMBL7403794 0.94 UTS2R (0.55) UTS2RMAPK1
SCHEMBL7408984 0.93 UTS2R (0.65) UTS2RHRH2HRH1
SCHEMBL7409507 0.92 HRH2 (0.55) UTS2RMAPK1HRH2HRH1SCN9A
SCHEMBL7404900 0.91 UTS2R (0.56) UTS2RHRH2HRH1SCN9A
SCHEMBL7411617 0.88 UTS2R (0.56) UTS2RHRH2HRH1
SCHEMBL9384147 0.88 HRH2 (0.61) HRH2HRH1DRD2DRD4
SCHEMBL7568066 0.88 HRH2 (0.61) HRH2HRH1DRD2DRD4

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 4 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 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