SCHEMBL7411150

SCHEMBL7411150

CC(C)C[C@H](NC(=O)c1ccc2ccccc2n1)C(=O)N[C@H]1CCN(Cc2ccc(-c3ccccc3)cc2)C1

nearest known ligand 0.76

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
UTS2R Q9UKP6 14/20 0.76
CTSK P43235 4/20 0.54
CTSL P07711 2/20 0.54
CTSB P07858 2/20 0.54
CTSS P25774 2/20 0.54
DRD2 P14416 2/20 0.51
DRD4 P21917 1/20 0.51
HTR1A P08908 1/20 0.51
HTR7 P34969 1/20 0.51
HTR6 P50406 1/20 0.51

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
SCHEMBL7407978 0.96 UTS2R (0.77) UTS2RCTSKCTSLCTSBCTSS
SCHEMBL7411023 0.96 UTS2R (0.77) UTS2RCTSKCTSLCTSBCTSS
SCHEMBL7402846 0.96 UTS2R (0.77) UTS2RCTSKCTSLCTSBCTSS
SCHEMBL7409398 0.92 UTS2R (0.79) UTS2RCTSKCTSLCTSBCTSS
SCHEMBL7410878 0.91 UTS2R (0.69) UTS2RCTSKCTSLCTSBCTSS
SCHEMBL7412603 0.88 UTS2R (0.67) UTS2RCTSKCTSLCTSBCTSS
SCHEMBL6577775 0.85 UTS2R (0.63) UTS2RCTSKCTSLCTSBCTSS
SCHEMBL7409331 0.85 UTS2R (0.64) UTS2RDRD2DRD4
SCHEMBL7415352 0.82 UTS2R (0.75) UTS2RCTSKCTSLCTSBCTSS
SCHEMBL6577972 0.82 CTSK (0.63) UTS2RCTSKCTSLCTSBCTSS

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