SCHEMBL7412664

SCHEMBL7412664

CC(C)C[C@H](NC(=O)c1ccc2ccccc2c1)C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1

nearest known ligand 0.61

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
UTS2R Q9UKP6 14/20 0.61
CHRM3 P20309 5/20 0.57
CHRM2 P08172 1/20 0.57
DRD4 P21917 1/20 0.52

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
SCHEMBL7410945 0.92 UTS2R (0.55) UTS2RCHRM3CHRM2DRD4
SCHEMBL7411042 0.91 UTS2R (0.62) UTS2RDRD4
SCHEMBL7412384 0.91 UTS2R (0.64) UTS2RDRD4
SCHEMBL7407746 0.91 UTS2R (0.64) UTS2RDRD4
SCHEMBL7412018 0.91 UTS2R (0.64) UTS2RDRD4
SCHEMBL7411577 0.90 DRD4 (0.64) UTS2RDRD4
SCHEMBL7409331 0.90 UTS2R (0.64) UTS2RDRD4
SCHEMBL7409368 0.90 UTS2R (0.61) UTS2RDRD4
SCHEMBL7403975 0.89 DRD4 (0.66) UTS2RDRD4
SCHEMBL7401673 0.89 UTS2R (0.62) UTS2RDRD4

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