SCHEMBL7407293

SCHEMBL7407293

CC(C)C[C@H](NC(=O)c1ccc2ccccc2c1)C(=O)N[C@H]1CCN(Cc2ccncc2)C1

nearest known ligand 0.64

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
UTS2R Q9UKP6 11/20 0.64
DRD4 P21917 3/20 0.53
SLC6A12 P48065 1/20 0.53
SLC6A13 Q9NSD5 1/20 0.53
CTSK P43235 4/20 0.53
CASP1 P29466 1/20 0.51
CASP3 P42574 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
SCHEMBL7412018 0.93 UTS2R (0.64) UTS2RDRD4SLC6A12SLC6A13CTSK
SCHEMBL7412384 0.93 UTS2R (0.64) UTS2RDRD4SLC6A12SLC6A13CTSK
SCHEMBL7407746 0.93 UTS2R (0.64) UTS2RDRD4SLC6A12SLC6A13CTSK
SCHEMBL7411042 0.91 UTS2R (0.62) UTS2RDRD4CTSK
SCHEMBL7404590 0.91 DRD4 (0.66) UTS2RDRD4SLC6A12SLC6A13CTSK
SCHEMBL7409331 0.91 UTS2R (0.64) UTS2RDRD4SLC6A12SLC6A13
SCHEMBL7411577 0.91 DRD4 (0.64) UTS2RDRD4SLC6A12SLC6A13
SCHEMBL7409368 0.90 UTS2R (0.61) UTS2RDRD4SLC6A12SLC6A13CTSK
SCHEMBL7414949 0.90 DRD4 (0.66) UTS2RDRD4
SCHEMBL7403975 0.89 DRD4 (0.66) 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 11 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
EP-0828493-A4 4.4-(DISUBSTITUTED)CYCLOHEXAN-1-OLS-MONOMERS AND RELATED COMPOUNDS SMITHKLINE BEECHAM CORP (US) 1998-09-02 EP disclosed
EP-0828493-A1 4.4-(DISUBSTITUTED)CYCLOHEXAN-1-OLS-MONOMERS AND RELATED COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 1998-03-18 EP disclosed
WO-1996038150-A1 4.4-(DISUBSTITUTED)CYCLOHEXAN-1-OLS-MONOMERS AND RELATED COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 1996-12-05 WO disclosed