SCHEMBL7410404

SCHEMBL7410404

CC(C)C[C@H](NC(=O)c1cc2ccccc2cn1)C(=O)N[C@H]1CCN(Cc2ccccc2)C1

nearest known ligand 0.62

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
UTS2R Q9UKP6 17/20 0.62
DRD2 P14416 1/20 0.51
DRD4 P21917 1/20 0.51
MCHR1 Q99705 1/20 0.49

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
SCHEMBL7408813 1.00 UTS2R (0.62) UTS2RDRD2DRD4MCHR1
SCHEMBL7411023 0.85 UTS2R (0.77) UTS2RDRD2
SCHEMBL7402846 0.85 UTS2R (0.77) UTS2RDRD2
SCHEMBL7407978 0.85 UTS2R (0.77) UTS2RDRD2
SCHEMBL7407746 0.85 UTS2R (0.64) UTS2RDRD4
SCHEMBL7412018 0.85 UTS2R (0.64) UTS2RDRD4
SCHEMBL7412384 0.85 UTS2R (0.64) UTS2RDRD4
SCHEMBL7407547 0.85 UTS2R (0.60) UTS2RDRD2DRD4
SCHEMBL7409463 0.85 UTS2R (0.60) UTS2RDRD2DRD4
SCHEMBL6578490 0.85 CTSK (0.48) UTS2R

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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