SCHEMBL6595055

SCHEMBL6595055

C[C@@H](C[CH]C(=O)N[C@H]1CCN(Cc2ccc(OCCCN(C)C)cc2)C1)C(N)=O

nearest known ligand 0.64

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
UTS2R Q9UKP6 20/20 0.64

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
SCHEMBL6596908 0.87 UTS2R (0.49) UTS2R
SCHEMBL6596427 0.87 UTS2R (0.63) UTS2R
SCHEMBL6595058 0.82 UTS2R (0.77) UTS2R
SCHEMBL17152608 0.82 BACE1 (0.53)
SCHEMBL6946573 0.78 UTS2R (1.00) UTS2R
SCHEMBL6948302 0.78 UTS2R (1.00) UTS2R
SCHEMBL6950626 0.78 UTS2R (1.00) UTS2R
SCHEMBL17152266 0.76 SIGMAR1 (0.56)
SCHEMBL7338579 0.75 UTS2R (0.53) UTS2R
SCHEMBL7345272 0.75 UTS2R (0.53) UTS2R

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1246619-B1 UROTENSIN-II RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2004-10-20 EP claimed
US-6514970-B1 Pyrrolidines such as benzo(b)thiophene-2-carboxylic acid ((S)-1-((S)-1-(4-(1-benzyl-piperidin-4-yloxy)-3-chloro-benzyl)-pyrrolidin-3 -ylcarbamoyl)-3- methyl-butyl)-amide SMITHKLINE BEECHAM CORPORATION 2003-02-04 US claimed
EP-1246619-B1 UROTENSIN-II RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2004-10-20 EP disclosed
EP-1246619-A4 UROTENSIN-II RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2003-05-02 EP disclosed
US-6514970-B1 Pyrrolidines such as benzo(b)thiophene-2-carboxylic acid ((S)-1-((S)-1-(4-(1-benzyl-piperidin-4-yloxy)-3-chloro-benzyl)-pyrrolidin-3 -ylcarbamoyl)-3- methyl-butyl)-amide SMITHKLINE BEECHAM CORPORATION 2003-02-04 US disclosed
EP-1246619-A1 UROTENSIN-II RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2002-10-09 EP disclosed
WO-2001045700-A1 UROTENSIN-II RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2001-06-28 WO disclosed