SCHEMBL7410945

SCHEMBL7410945

CC(C)C[C@H](NC(=O)c1ccc2ccccc2c1)C(=O)N[C@H]1CCN(Cc2cccc(C#N)c2)C1

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
UTS2R Q9UKP6 12/20 0.55
CHRM2 P08172 1/20 0.54
CHRM1 P11229 1/20 0.54
CHRM3 P20309 1/20 0.54
MCHR1 Q99705 3/20 0.53
DRD4 P21917 3/20 0.51
CTSK P43235 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
SCHEMBL7412664 0.92 UTS2R (0.61) UTS2RCHRM2CHRM3DRD4
SCHEMBL7412018 0.90 UTS2R (0.64) UTS2RDRD4CTSK
SCHEMBL7412384 0.90 UTS2R (0.64) UTS2RDRD4CTSK
SCHEMBL7407746 0.90 UTS2R (0.64) UTS2RDRD4CTSK
SCHEMBL7411042 0.90 UTS2R (0.62) UTS2RMCHR1DRD4CTSK
SCHEMBL7411128 0.88 UTS2R (0.56) UTS2RMCHR1DRD4
SCHEMBL7410726 0.87 UTS2R (0.58) UTS2RMCHR1DRD4
SCHEMBL7411031 0.86 DRD4 (0.67) UTS2RCHRM2CHRM3MCHR1DRD4
SCHEMBL7409331 0.86 UTS2R (0.64) UTS2RDRD4
SCHEMBL7411577 0.86 DRD4 (0.64) UTS2RMCHR1DRD4

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