SCHEMBL7409507

SCHEMBL7409507

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

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HRH2 P25021 4/20 0.55
HRH1 P35367 4/20 0.55
UTS2R Q9UKP6 4/20 0.53
MAPK1 P28482 1/20 0.51
CTSK P43235 4/20 0.51
SCN9A Q15858 2/20 0.50
SIGMAR1 Q99720 1/20 0.48
CTSS P25774 1/20 0.48
REN P00797 1/20 0.47

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
SCHEMBL7400619 0.92 UTS2R (0.62) HRH2HRH1UTS2RMAPK1SCN9A
SCHEMBL7402928 0.92 UTS2R (0.62) HRH2HRH1UTS2RMAPK1SCN9A
SCHEMBL7415020 0.92 UTS2R (0.62) HRH2HRH1UTS2RMAPK1SCN9A
SCHEMBL7403794 0.88 UTS2R (0.55) UTS2RMAPK1CTSKSIGMAR1REN
SCHEMBL7407107 0.87 UTS2R (0.61) HRH2HRH1UTS2RMAPK1
SCHEMBL7408984 0.85 UTS2R (0.65) HRH2HRH1UTS2R
SCHEMBL7724067 0.84 KCNA3 (0.59) CTSKSIGMAR1
SCHEMBL7724060 0.84 KCNA3 (0.59) CTSKSIGMAR1
SCHEMBL7404900 0.83 UTS2R (0.56) HRH2HRH1UTS2RSCN9A
SCHEMBL22928915 0.81 KCNA3 (0.66) SIGMAR1

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