SCHEMBL7411702

SCHEMBL7411702

CC(C)C[C@H](NC(=O)Cc1ccc2ccccc2c1)C(=O)N[C@H]1CCN(Cc2ccccc2)C1

nearest known ligand 0.66

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.66
CCR3 P51677 2/20 0.59
UTS2R Q9UKP6 12/20 0.59
CASP1 P29466 1/20 0.55
CASP3 P42574 1/20 0.55
CASP6 P55212 1/20 0.55
CASP8 Q14790 1/20 0.55
MCHR1 Q99705 2/20 0.53

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
SCHEMBL7408034 1.00 SIGMAR1 (0.66) SIGMAR1CCR3UTS2RCASP1CASP3
SCHEMBL7403685 0.93 UTS2R (0.56) SIGMAR1CCR3UTS2RMCHR1
SCHEMBL7412566 0.93 UTS2R (0.56) SIGMAR1CCR3UTS2RMCHR1
SCHEMBL7412384 0.88 UTS2R (0.64) UTS2R
SCHEMBL7412018 0.88 UTS2R (0.64) UTS2R
SCHEMBL7407746 0.88 UTS2R (0.64) UTS2R
SCHEMBL7411042 0.86 UTS2R (0.62) UTS2RMCHR1
SCHEMBL7401673 0.86 UTS2R (0.62) UTS2R
SCHEMBL7409331 0.86 UTS2R (0.64) UTS2R
SCHEMBL7411577 0.84 DRD4 (0.64) UTS2RMCHR1

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