SCHEMBL7414949

SCHEMBL7414949

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

nearest known ligand 0.66

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 6/20 0.66
UTS2R Q9UKP6 11/20 0.61
CCR2 P41597 1/20 0.59
DRD2 P14416 2/20 0.56
HTR2A P28223 2/20 0.53
MCHR1 Q99705 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
SCHEMBL7411031 0.92 DRD4 (0.67) DRD4UTS2RCCR2MCHR1
SCHEMBL7409368 0.91 UTS2R (0.61) DRD4UTS2RDRD2MCHR1
SCHEMBL7407746 0.91 UTS2R (0.64) DRD4UTS2R
SCHEMBL7412384 0.91 UTS2R (0.64) DRD4UTS2R
SCHEMBL7411042 0.91 UTS2R (0.62) DRD4UTS2RMCHR1
SCHEMBL7412018 0.91 UTS2R (0.64) DRD4UTS2R
SCHEMBL7409331 0.90 UTS2R (0.64) DRD4UTS2RDRD2
SCHEMBL7411577 0.90 DRD4 (0.64) DRD4UTS2RCCR2MCHR1
SCHEMBL7407293 0.90 UTS2R (0.64) DRD4UTS2R
SCHEMBL7403975 0.89 DRD4 (0.66) DRD4UTS2RMCHR1

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